#------------------------------------------------------------------------------ #$Date: 2025-07-01 15:59:33 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1334 $ #$URL: svn://localhost/testcod/cif/4/30/00/4300032.cif $ #------------------------------------------------------------------------------ # # This file is available in the Crystallography Open Database (COD), # http://www.crystallography.net/ # # All data on this site have been placed in the public domain by the # contributors. # data_4300032 loop_ _publ_author_name 'Fewox, Christopher S.' 'Clearfield, Abraham' 'Celestian, Aaron J.' _publ_section_title ; In Situ X-ray Diffraction Study of Cesium Exchange in Synthetic Umbite ; _journal_issue 8 _journal_name_full 'Inorganic Chemistry' _journal_page_first 3596 _journal_page_last 3604 _journal_paper_doi 10.1021/ic102546w _journal_volume 50 _journal_year 2011 _chemical_formula_sum 'Cs1.37 K0.45 O9.98 Si3 Zr' _chemical_formula_weight 535.18 _space_group_IT_number 19 _space_group_name_Hall 'P 2ac 2ab' _space_group_name_H-M_alt 'P 21 21 21' _symmetry_cell_setting orthorhombic _symmetry_space_group_name_H-M 'P 21 21 21' _audit_creation_date 2007-07-25T08:57 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2007-07-25T08:57 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 90.0 _cell_formula_units_Z 4 _cell_length_a 10.6668(8) _cell_length_b 13.5821(11) _cell_length_c 7.3946(6) _cell_volume 1071.31(15) _computing_structure_refinement GSAS _diffrn_radiation_polarisn_ratio 0.93 _diffrn_radiation_probe x-ray _exptl_absorpt_correction_T_max 1.00000 _exptl_absorpt_correction_T_min 1.00000 _exptl_absorpt_process_details ; GSAS Absorption/surface roughness correction: function number 0 No correction is applied. ; _pd_block_id 2007-07-25T08:57|G3|Chris_Fewox|bnl _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.02 _pd_meas_2theta_range_max 31.99 _pd_meas_2theta_range_min 0.01 _pd_meas_number_of_points 1600 _pd_phase_name HCsZrTS _pd_proc_2theta_range_inc 0.02 _pd_proc_2theta_range_max 31.99 _pd_proc_2theta_range_min 0.01 _pd_proc_info_datetime 2007-07-25T08:57:56 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 36 terms. Shifted Chebyshev function of 1st kind 1: 828.879 2: -294.380 3: -90.9886 4: 16.4811 5: 20.7225 6: 6.59259 7: -27.6240 8: -19.9816 9: 6.81626 10: -1.58052 11: -10.1479 12: -7.16757 13: 0.105962 14: 8.62151 15: 3.77936 16: -4.91964 17: -4.06335 18: 4.59015 19: 4.50065 20: -1.41831 21: -5.95283 22: -1.21673 23: 7.65037 24: 6.16445 25: 3.04725 26: -1.12686 27: -1.90076 28: 2.35737 29: -2.39381 30: -2.40044 31: 0.144228 32: 0.984286 33: -1.68113 34: 0.306631 35: -0.216961 36: 4.25553 ; _pd_proc_ls_peak_cutoff 0.01000 _pd_proc_ls_profile_function ; CW Profile function number 3 with 19 terms Pseudovoigt profile coefficients as parameterized in P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. Asymmetry correction of L.W. Finger, D.E. Cox & A. P. Jephcoat (1994). J. Appl. Cryst.,27,892-900. #1(GU) = 531.478 #2(GV) = -51.154 #3(GW) = -18.289 #4(GP) = 36.966 #5(LX) = 3.105 #6(LY) = 0.000 #7(S/L) = 0.0005 #8(H/L) = 0.0005 #9(trns) = -61.79 #10(shft)= -1.0771 #11(stec)= 0.00 #12(ptec)= 0.00 #13(sfec)= 0.00 #14(L11) = -0.113 #15(L22) = -0.101 #16(L33) = 0.030 #17(L12) = 0.030 #18(L13) = -0.012 #19(L23) = 0.148 Peak tails are ignored where the intensity is below 0.0100 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0144 _pd_proc_ls_prof_wR_expected 0.0322 _pd_proc_ls_prof_wR_factor 0.0204 _pd_proc_number_of_points 1600 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.30 _refine_ls_matrix_type full _refine_ls_number_parameters 104 _refine_ls_number_restraints 54 _refine_ls_R_Fsqd_factor 0.07031 _refine_ls_shift/su_max 0.05 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 2.121 _reflns_d_resolution_low 8.389 _reflns_limit_h_max 5 _reflns_limit_h_min 0 _reflns_limit_k_max 6 _reflns_limit_k_min 0 _reflns_limit_l_max 3 _reflns_limit_l_min 0 _reflns_number_total 170 _cod_data_source_file ic102546w_si_001.cif _cod_data_source_block Cs_Umbite _cod_original_sg_symbol_H-M 'p 21 21 21' _cod_database_code 4300032 _gsas_exptl_extinct_corr_t_min 1.00000 _gsas_exptl_extinct_corr_t_max 1.00000 loop_ _symmetry_equiv_pos_site_id _symmetry_equiv_pos_as_xyz 1 +x,+y,+z 2 +x+1/2,-y+1/2,-z 3 -x,+y+1/2,-z+1/2 4 -x+1/2,-y,+z+1/2 loop_ _atom_site_type_symbol _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_thermal_displace_type _atom_site_U_iso_or_equiv _atom_site_symmetry_multiplicity Zr ZR1 0.4490(9) 0.2105(6) 0.2480(27) 1.0 Uiso 0.04244 4 Si SI2 0.1527(11) 0.1788(9) 0.0581(17) 1.0 Uiso 0.008 4 Si SI3 0.0649(11) 0.0554(8) 0.7576(17) 1.0 Uiso 0.008 4 Si SI4 0.6620(11) 0.3229(9) 0.5370(17) 1.0 Uiso 0.008 4 O O5 0.4437(13) 0.3698(10) 0.248(4) 1.0 Uiso 0.004 4 O O6 0.3013(10) 0.2174(19) 0.074(4) 1.0 Uiso 0.004 4 O O7 0.4800(22) 0.0617(8) 0.258(5) 1.0 Uiso 0.004 4 O O8 0.5812(14) 0.2345(11) 0.4362(25) 1.0 Uiso 0.004 4 O O9 0.5672(14) 0.2350(11) 0.0397(24) 1.0 Uiso 0.004 4 O O10 0.3122(10) 0.2110(14) 0.4424(24) 1.0 Uiso 0.004 4 O O11 0.0963(11) 0.1591(16) 0.2631(13) 1.0 Uiso 0.004 4 O O12 0.1566(14) 0.0710(9) 0.5761(16) 1.0 Uiso 0.004 4 O O13 0.1505(15) 0.0729(9) 0.9444(16) 1.0 Uiso 0.004 4 Cs Cs14 0.9490(7) 0.4174(5) 0.251(6) 1.0 Uiso 0.0601(31) 4 Cs Cs15 0.3198(12) 0.3624(9) -0.2661(23) 0.22965 Uiso 0.143(14) 4 K K15 0.3198(12) 0.3624(9) -0.2661(23) 0.35289 Uiso 0.143(14) 4 O Ow1 -0.216(4) -0.0417(13) 0.0542(31) 0.80207 Uiso 0.266(32) 4 O Ow3 0.3198(12) 0.3624(9) -0.2661(23) 0.17878 Uiso 0.143(14) 4 K K16 -0.216(4) -0.0417(13) 0.0542(31) 0.09779 Uiso 0.266(32) 4 Cs Cs16 -0.216(4) -0.0417(13) 0.0542(31) 0.14271 Uiso 0.266(32) 4 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_Cromer_Mann_a1 _atom_type_scat_Cromer_Mann_a2 _atom_type_scat_Cromer_Mann_a3 _atom_type_scat_Cromer_Mann_a4 _atom_type_scat_Cromer_Mann_b1 _atom_type_scat_Cromer_Mann_b2 _atom_type_scat_Cromer_Mann_b3 _atom_type_scat_Cromer_Mann_b4 _atom_type_scat_Cromer_Mann_c _atom_type_scat_source Zr 4.0 0.000 0.000 17.8765 1.27618 10.9480 11.9160 5.41732 0.11762 3.65721 87.6627 2.06929 International_Tables_Vol_C Si 12.0 0.000 0.000 6.29150 2.43860 3.03530 32.3337 1.98910 0.67850 1.54100 81.6937 1.14070 International_Tables_Vol_C O 39.923 0.000 0.000 3.04850 13.2771 2.28680 5.70110 1.54630 0.32390 0.86700 32.9089 0.25080 International_Tables_Vol_C Cs 5.489 0.000 0.000 20.3892 3.56900 19.1062 0.31070 10.6620 24.3879 1.49530 213.904 3.33520 International_Tables_Vol_C K 1.803 0.000 0.000 8.21860 12.7949 7.43980 0.77480 1.05190 213.187 0.86590 41.6841 1.42280 International_Tables_Vol_C loop_ _diffrn_radiation_wavelength _diffrn_radiation_wavelength_wt _diffrn_radiation_type _diffrn_radiation_wavelength_id 0.922100 1.000 K\a~1~ 1 0.922100 1.000 K\a~2~ 2 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 _geom_angle_publ_flag O5 ZR1 O6 86.2(10) 1_555 . 1_555 N O5 ZR1 O7 171.9(10) 1_555 . 1_555 N O5 ZR1 O8 81.7(8) 1_555 . 1_555 N O5 ZR1 O9 81.5(9) 1_555 . 1_555 N O5 ZR1 O10 88.7(9) 1_555 . 1_555 N O5 ZR1 Cs14 115.2(10) 1_555 . 2_455 N O5 ZR1 Cs14 115.1(10) 1_555 . 2_456 N O5 ZR1 Cs15 105.5(5) 1_555 . 2_555 N O5 ZR1 Cs16 123.4(8) 1_555 . 4_555 N O6 ZR1 O7 101.2(13) 1_555 . 1_555 N O6 ZR1 O8 166.9(10) 1_555 . 1_555 N O6 ZR1 O9 89.7(11) 1_555 . 1_555 N O6 ZR1 O10 83.8(8) 1_555 . 1_555 N O6 ZR1 Cs14 56.5(8) 1_555 . 2_455 N O6 ZR1 Cs14 126.2(8) 1_555 . 2_456 N O6 ZR1 Cs15 141.5(10) 1_555 . 2_555 N O6 ZR1 Cs16 150.4(9) 1_555 . 4_555 N O7 ZR1 O8 91.2(11) 1_555 . 1_555 N O7 ZR1 O9 95.2(12) 1_555 . 1_555 N O7 ZR1 O10 95.3(12) 1_555 . 1_555 N O7 ZR1 Cs14 67.3(12) 1_555 . 2_455 N O7 ZR1 Cs14 63.1(12) 1_555 . 2_456 N O7 ZR1 Cs15 66.6(7) 1_555 . 2_555 N O7 ZR1 Cs16 49.3(10) 1_555 . 4_555 N O8 ZR1 O9 93.6(8) 1_555 . 1_555 N O8 ZR1 O10 90.8(10) 1_555 . 1_555 N O8 ZR1 Cs14 134.1(7) 1_555 . 2_455 N O8 ZR1 Cs14 56.0(6) 1_555 . 2_456 N O8 ZR1 Cs15 48.4(6) 1_555 . 2_555 N O8 ZR1 Cs16 42.0(6) 1_555 . 4_555 N O9 ZR1 O10 168.5(9) 1_555 . 1_555 N O9 ZR1 Cs14 51.7(6) 1_555 . 2_455 N O9 ZR1 Cs14 139.6(6) 1_555 . 2_456 N O9 ZR1 Cs15 57.3(6) 1_555 . 2_555 N O9 ZR1 Cs16 94.4(7) 1_555 . 4_555 N O10 ZR1 Cs14 129.5(6) 1_555 . 2_455 N O10 ZR1 Cs14 50.7(6) 1_555 . 2_456 N O10 ZR1 Cs15 132.0(8) 1_555 . 2_555 N O10 ZR1 Cs16 96.0(8) 1_555 . 4_555 N Cs14 ZR1 Cs14 129.67(28) 2_455 . 2_456 N Cs14 ZR1 Cs15 85.8(4) 2_455 . 2_555 N Cs14 ZR1 Cs16 104.4(4) 2_455 . 4_555 N Cs14 ZR1 Cs15 82.4(4) 2_456 . 2_555 N Cs14 ZR1 Cs16 45.3(5) 2_456 . 4_555 N Cs15 ZR1 Cs16 37.9(5) 2_555 . 4_555 N O6 SI2 O9 109.4(12) 1_555 . 2_455 N O6 SI2 O11 109.3(12) 1_555 . 1_555 N O6 SI2 O13 108.7(12) 1_555 . 1_554 N O6 SI2 Cs14 120.9(10) 1_555 . 3_645 N O6 SI2 Cs15 53.8(10) 1_555 . 1_555 N O6 SI2 Cs15 151.3(11) 1_555 . 2_455 N O9 SI2 O11 108.4(11) 2_455 . 1_555 N O9 SI2 O13 112.5(10) 2_455 . 1_554 N O9 SI2 Cs14 129.7(8) 2_455 . 3_645 N O9 SI2 Cs15 61.9(7) 2_455 . 1_555 N O9 SI2 Cs15 76.8(7) 2_455 . 2_455 N O11 SI2 O13 108.6(11) 1_555 . 1_554 N O11 SI2 Cs14 55.3(10) 1_555 . 3_645 N O11 SI2 Cs15 146.7(9) 1_555 . 1_555 N O11 SI2 Cs15 44.4(6) 1_555 . 2_455 N O13 SI2 Cs14 53.4(8) 1_554 . 3_645 N O13 SI2 Cs15 104.4(7) 1_554 . 1_555 N O13 SI2 Cs15 93.6(7) 1_554 . 2_455 N Cs14 SI2 Cs15 156.5(6) 3_645 . 1_555 N Cs14 SI2 Cs15 58.96(31) 3_645 . 2_455 N Cs15 SI2 Cs15 138.6(4) 1_555 . 2_455 N O5 SI3 O7 111.4(11) 2_456 . 4_555 N O5 SI3 O12 111.1(12) 2_456 . 1_555 N O5 SI3 O13 111.3(12) 2_456 . 1_555 N O5 SI3 Cs16 67.9(9) 2_456 . 1_556 N O5 SI3 Cs16 44.8(8) 2_456 . 4_455 N O7 SI3 O12 107.0(15) 4_555 . 1_555 N O7 SI3 O13 106.9(15) 4_555 . 1_555 N O7 SI3 Cs16 57.2(12) 4_555 . 1_556 N O7 SI3 Cs16 71.9(10) 4_555 . 4_455 N O12 SI3 O13 109.0(9) 1_555 . 1_555 N O12 SI3 Cs16 158.9(8) 1_555 . 1_556 N O12 SI3 Cs16 104.3(8) 1_555 . 4_455 N O13 SI3 Cs16 90.2(8) 1_555 . 1_556 N O13 SI3 Cs16 145.2(9) 1_555 . 4_455 N Cs16 SI3 Cs16 59.25(29) 1_556 . 4_455 N O8 SI4 O10 109.9(11) 1_555 . 2_556 N O8 SI4 O11 106.8(11) 1_555 . 2_556 N O8 SI4 O12 112.6(10) 1_555 . 2_556 N O8 SI4 Cs14 113.6(9) 1_555 . 1_555 N O8 SI4 Cs14 131.0(8) 1_555 . 4_665 N O8 SI4 Cs15 77.5(7) 1_555 . 1_556 N O8 SI4 Cs15 59.4(7) 1_555 . 2_555 N O8 SI4 K15 59.4(7) 1_555 . 2_555 N O8 SI4 Cs16 51.4(8) 1_555 . 4_555 N O10 SI4 O11 111.4(10) 2_556 . 2_556 N O10 SI4 O12 108.4(10) 2_556 . 2_556 N O10 SI4 Cs14 52.7(8) 2_556 . 1_555 N O10 SI4 Cs14 119.0(8) 2_556 . 4_665 N O10 SI4 Cs15 152.2(9) 2_556 . 1_556 N O10 SI4 Cs15 54.2(7) 2_556 . 2_555 N O10 SI4 K15 54.2(7) 2_556 . 2_555 N O10 SI4 Cs16 65.3(10) 2_556 . 4_555 N O11 SI4 O12 107.8(11) 2_556 . 2_556 N O11 SI4 Cs14 139.6(9) 2_556 . 1_555 N O11 SI4 Cs14 52.9(10) 2_556 . 4_665 N O11 SI4 Cs15 42.4(6) 2_556 . 1_556 N O11 SI4 Cs15 142.4(10) 2_556 . 2_555 N O11 SI4 K15 142.4(10) 2_556 . 2_555 N O11 SI4 Cs16 100.4(10) 2_556 . 4_555 N O12 SI4 Cs14 58.4(7) 2_556 . 1_555 N O12 SI4 Cs14 55.4(8) 2_556 . 4_665 N O12 SI4 Cs15 92.0(7) 2_556 . 1_556 N O12 SI4 Cs15 109.8(7) 2_556 . 2_555 N O12 SI4 K15 109.8(7) 2_556 . 2_555 N O12 SI4 Cs16 151.2(8) 2_556 . 4_555 N Cs14 SI4 Cs14 98.83(30) 1_555 . 4_665 N Cs14 SI4 Cs15 150.3(4) 1_555 . 1_556 N Cs14 SI4 Cs15 64.5(4) 1_555 . 2_555 N Cs14 SI4 K15 64.5(4) 1_555 . 2_555 N Cs14 SI4 Cs16 102.9(7) 1_555 . 4_555 N Cs14 SI4 Cs15 57.91(29) 4_665 . 1_556 N Cs14 SI4 Cs15 163.0(6) 4_665 . 2_555 N Cs14 SI4 K15 163.0(6) 4_665 . 2_555 N Cs14 SI4 Cs16 153.2(7) 4_665 . 4_555 N Cs15 SI4 Cs15 136.3(4) 1_556 . 2_555 N Cs15 SI4 K15 136.3(4) 1_556 . 2_555 N Cs15 SI4 Cs16 105.0(7) 1_556 . 4_555 N Cs15 SI4 K15 0.0 2_555 . 2_555 N Cs15 SI4 Cs16 42.6(5) 2_555 . 4_555 N K15 SI4 Cs16 42.6(5) 2_555 . 4_555 N ZR1 O5 SI3 126.6(9) 1_555 . 2_556 N ZR1 O5 K16 114.3(9) 1_555 . 3_555 N ZR1 O5 Cs16 114.3(9) 1_555 . 3_555 N SI3 O5 K16 113.1(10) 2_556 . 3_555 N SI3 O5 Cs16 113.1(10) 2_556 . 3_555 N K16 O5 Cs16 0.0 3_555 . 3_555 N ZR1 O6 SI2 139.8(16) 1_555 . 1_555 N ZR1 O6 Cs14 93.6(8) 1_555 . 2_455 N ZR1 O6 Cs15 118.5(9) 1_555 . 1_555 N ZR1 O6 K15 118.5(9) 1_555 . 1_555 N SI2 O6 Cs14 102.7(12) 1_555 . 2_455 N SI2 O6 Cs15 101.2(11) 1_555 . 1_555 N SI2 O6 K15 101.2(11) 1_555 . 1_555 N Cs14 O6 Cs15 75.3(7) 2_455 . 1_555 N Cs14 O6 K15 75.3(7) 2_455 . 1_555 N Cs15 O6 K15 0.0 1_555 . 1_555 N ZR1 O7 SI3 153.8(15) 1_555 . 4_554 N ZR1 O7 Cs16 103.0(11) 1_555 . 4_555 N SI3 O7 Cs16 98.1(13) 4_554 . 4_555 N ZR1 O8 SI4 142.7(10) 1_555 . 1_555 N ZR1 O8 Cs14 94.7(8) 1_555 . 2_456 N ZR1 O8 Cs15 103.0(8) 1_555 . 2_555 N ZR1 O8 K15 103.0(8) 1_555 . 2_555 N ZR1 O8 K16 112.5(9) 1_555 . 4_555 N ZR1 O8 Cs16 112.5(9) 1_555 . 4_555 N SI4 O8 Cs14 110.5(10) 1_555 . 2_456 N SI4 O8 Cs15 93.6(8) 1_555 . 2_555 N SI4 O8 K15 93.6(8) 1_555 . 2_555 N SI4 O8 K16 104.1(10) 1_555 . 4_555 N SI4 O8 Cs16 104.1(10) 1_555 . 4_555 N Cs14 O8 Cs15 110.8(5) 2_456 . 2_555 N Cs14 O8 K15 110.8(5) 2_456 . 2_555 N Cs14 O8 K16 59.4(7) 2_456 . 4_555 N Cs14 O8 Cs16 59.4(7) 2_456 . 4_555 N Cs15 O8 K15 0.0 2_555 . 2_555 N Cs15 O8 K16 51.9(7) 2_555 . 4_555 N Cs15 O8 Cs16 51.9(7) 2_555 . 4_555 N K15 O8 K16 51.9(7) 2_555 . 4_555 N K15 O8 Cs16 51.9(7) 2_555 . 4_555 N K16 O8 Cs16 0.0 4_555 . 4_555 N ZR1 O9 SI2 142.8(11) 1_555 . 2_555 N ZR1 O9 Cs14 99.1(8) 1_555 . 2_455 N ZR1 O9 Cs15 93.1(7) 1_555 . 2_555 N SI2 O9 Cs14 112.1(11) 2_555 . 2_455 N SI2 O9 Cs15 93.0(8) 2_555 . 2_555 N Cs14 O9 Cs15 112.5(5) 2_455 . 2_555 N ZR1 O10 SI4 138.1(12) 1_555 . 2_456 N ZR1 O10 Cs14 99.7(8) 1_555 . 2_456 N ZR1 O10 Cs15 119.4(8) 1_555 . 1_556 N ZR1 O10 K15 119.4(8) 1_555 . 1_556 N ZR1 O10 Cs16 102.5(9) 1_555 . 3_555 N SI4 O10 Cs14 102.8(9) 2_456 . 2_456 N SI4 O10 Cs15 98.6(8) 2_456 . 1_556 N SI4 O10 K15 98.6(8) 2_456 . 1_556 N SI4 O10 Cs16 89.0(10) 2_456 . 3_555 N Cs14 O10 Cs15 81.5(7) 2_456 . 1_556 N Cs14 O10 K15 81.5(7) 2_456 . 1_556 N Cs14 O10 Cs16 130.4(8) 2_456 . 3_555 N Cs15 O10 K15 0.0 1_556 . 1_556 N Cs15 O10 Cs16 48.9(6) 1_556 . 3_555 N K15 O10 Cs16 48.9(6) 1_556 . 3_555 N SI2 O11 SI4 129.9(10) 1_555 . 2_456 N SI2 O11 Cs14 100.6(11) 1_555 . 3_645 N SI2 O11 Cs15 112.7(7) 1_555 . 2_455 N SI2 O11 K15 112.7(7) 1_555 . 2_455 N SI4 O11 Cs14 103.7(11) 2_456 . 3_645 N SI4 O11 Cs15 115.4(7) 2_456 . 2_455 N SI4 O11 K15 115.4(7) 2_456 . 2_455 N Cs14 O11 Cs15 76.0(5) 3_645 . 2_455 N Cs14 O11 K15 76.0(5) 3_645 . 2_455 N Cs15 O11 K15 0.0 2_455 . 2_455 N SI3 O12 SI4 122.1(10) 1_555 . 2_456 N SI3 O12 Cs14 104.1(9) 1_555 . 2_456 N SI3 O12 Cs14 107.5(8) 1_555 . 3_645 N SI4 O12 Cs14 96.8(8) 2_456 . 2_456 N SI4 O12 Cs14 100.7(8) 2_456 . 3_645 N Cs14 O12 Cs14 127.3(6) 2_456 . 3_645 N SI2 O13 SI3 123.2(10) 1_556 . 1_555 N SI2 O13 Cs14 99.4(8) 1_556 . 2_456 N SI2 O13 Cs14 102.4(8) 1_556 . 3_646 N SI3 O13 Cs14 99.2(9) 1_555 . 2_456 N SI3 O13 Cs14 107.5(9) 1_555 . 3_646 N Cs14 O13 Cs14 127.2(6) 2_456 . 3_646 N ZR1 Cs14 ZR1 129.67(28) 2_555 . 2_556 N ZR1 Cs14 SI2 134.6(8) 2_555 . 3_655 N ZR1 Cs14 SI4 110.3(4) 2_555 . 1_555 N ZR1 Cs14 SI4 91.0(8) 2_555 . 4_664 N ZR1 Cs14 O6 29.9(5) 2_555 . 2_555 N ZR1 Cs14 O8 110.9(5) 2_555 . 2_556 N ZR1 Cs14 O9 29.2(5) 2_555 . 2_555 N ZR1 Cs14 O10 114.0(5) 2_555 . 2_556 N ZR1 Cs14 O11 113.1(10) 2_555 . 3_655 N ZR1 Cs14 O12 111.2(6) 2_555 . 2_556 N ZR1 Cs14 O12 67.4(8) 2_555 . 3_655 N ZR1 Cs14 O13 69.0(7) 2_555 . 2_556 N ZR1 Cs14 O13 154.1(7) 2_555 . 3_656 N ZR1 Cs14 Cs15 122.77(31) 2_555 . 1_656 N ZR1 Cs14 Cs15 67.9(5) 2_555 . 2_555 N ZR1 Cs14 Cs15 107.4(8) 2_555 . 4_665 N ZR1 Cs14 K15 67.9(5) 2_555 . 2_555 N ZR1 Cs14 K15 107.4(8) 2_555 . 4_665 N ZR1 Cs14 Ow1 118.4(8) 2_555 . 3_655 N ZR1 Cs14 K16 73.1(7) 2_555 . 2_655 N ZR1 Cs14 K16 118.4(8) 2_555 . 3_655 N ZR1 Cs14 Cs16 73.1(7) 2_555 . 2_655 N ZR1 Cs14 Cs16 118.4(8) 2_555 . 3_655 N ZR1 Cs14 SI2 93.3(8) 2_556 . 3_655 N ZR1 Cs14 SI4 51.3(5) 2_556 . 1_555 N ZR1 Cs14 SI4 136.5(8) 2_556 . 4_664 N ZR1 Cs14 O6 114.3(6) 2_556 . 2_555 N ZR1 Cs14 O8 29.3(4) 2_556 . 2_556 N ZR1 Cs14 O9 109.3(5) 2_556 . 2_555 N ZR1 Cs14 O10 29.6(4) 2_556 . 2_556 N ZR1 Cs14 O11 116.7(10) 2_556 . 3_655 N ZR1 Cs14 O12 71.2(7) 2_556 . 2_556 N ZR1 Cs14 O12 155.3(7) 2_556 . 3_655 N ZR1 Cs14 O13 113.0(6) 2_556 . 2_556 N ZR1 Cs14 O13 69.6(8) 2_556 . 3_656 N ZR1 Cs14 Cs15 48.7(4) 2_556 . 1_656 N ZR1 Cs14 Cs15 64.9(5) 2_556 . 2_555 N ZR1 Cs14 Cs15 111.0(8) 2_556 . 4_665 N ZR1 Cs14 K15 64.9(5) 2_556 . 2_555 N ZR1 Cs14 K15 111.0(8) 2_556 . 4_665 N ZR1 Cs14 Ow1 70.8(8) 2_556 . 3_655 N ZR1 Cs14 K16 127.4(6) 2_556 . 2_655 N ZR1 Cs14 K16 70.8(8) 2_556 . 3_655 N ZR1 Cs14 Cs16 127.4(6) 2_556 . 2_655 N ZR1 Cs14 Cs16 70.8(8) 2_556 . 3_655 N SI2 Cs14 SI4 83.6(6) 3_655 . 1_555 N SI2 Cs14 SI4 43.88(26) 3_655 . 4_664 N SI2 Cs14 O6 127.2(6) 3_655 . 2_555 N SI2 Cs14 O8 114.5(11) 3_655 . 2_556 N SI2 Cs14 O9 155.9(10) 3_655 . 2_555 N SI2 Cs14 O10 96.4(9) 3_655 . 2_556 N SI2 Cs14 O11 24.14(29) 3_655 . 3_655 N SI2 Cs14 O12 64.6(4) 3_655 . 2_556 N SI2 Cs14 O12 67.19(31) 3_655 . 3_655 N SI2 Cs14 O13 82.21(30) 3_655 . 2_556 N SI2 Cs14 O13 24.19(28) 3_655 . 3_656 N SI2 Cs14 Cs15 95.2(7) 3_655 . 1_656 N SI2 Cs14 Cs15 137.5(7) 3_655 . 2_555 N SI2 Cs14 Cs15 59.74(31) 3_655 . 4_665 N SI2 Cs14 K15 137.5(7) 3_655 . 2_555 N SI2 Cs14 K15 59.74(31) 3_655 . 4_665 N SI2 Cs14 Ow1 86.0(7) 3_655 . 3_655 N SI2 Cs14 K16 93.4(4) 3_655 . 2_655 N SI2 Cs14 K16 86.0(7) 3_655 . 3_655 N SI2 Cs14 Cs16 93.4(4) 3_655 . 2_655 N SI2 Cs14 Cs16 86.0(7) 3_655 . 3_655 N SI4 Cs14 SI4 105.49(26) 1_555 . 4_664 N SI4 Cs14 O6 81.0(4) 1_555 . 2_555 N SI4 Cs14 O8 76.1(7) 1_555 . 2_556 N SI4 Cs14 O9 116.8(4) 1_555 . 2_555 N SI4 Cs14 O10 24.51(32) 1_555 . 2_556 N SI4 Cs14 O11 103.1(5) 1_555 . 3_655 N SI4 Cs14 O12 24.89(32) 1_555 . 2_556 N SI4 Cs14 O12 109.0(4) 1_555 . 3_655 N SI4 Cs14 O13 61.72(31) 1_555 . 2_556 N SI4 Cs14 O13 65.7(6) 1_555 . 3_656 N SI4 Cs14 Cs15 99.8(8) 1_555 . 1_656 N SI4 Cs14 Cs15 54.10(33) 1_555 . 2_555 N SI4 Cs14 Cs15 139.8(9) 1_555 . 4_665 N SI4 Cs14 K15 54.10(33) 1_555 . 2_555 N SI4 Cs14 K15 139.8(9) 1_555 . 4_665 N SI4 Cs14 Ow1 120.1(13) 1_555 . 3_655 N SI4 Cs14 K16 176.5(8) 1_555 . 2_655 N SI4 Cs14 K16 120.1(13) 1_555 . 3_655 N SI4 Cs14 Cs16 176.5(8) 1_555 . 2_655 N SI4 Cs14 Cs16 120.1(13) 1_555 . 3_655 N SI4 Cs14 O6 93.2(9) 4_664 . 2_555 N SI4 Cs14 O8 156.3(10) 4_664 . 2_556 N SI4 Cs14 O9 114.3(11) 4_664 . 2_555 N SI4 Cs14 O10 128.1(5) 4_664 . 2_556 N SI4 Cs14 O11 23.42(30) 4_664 . 3_655 N SI4 Cs14 O12 80.60(31) 4_664 . 2_556 N SI4 Cs14 O12 23.91(28) 4_664 . 3_655 N SI4 Cs14 O13 62.6(4) 4_664 . 2_556 N SI4 Cs14 O13 67.07(30) 4_664 . 3_656 N SI4 Cs14 Cs15 126.6(4) 4_664 . 1_656 N SI4 Cs14 Cs15 136.9(6) 4_664 . 2_555 N SI4 Cs14 Cs15 60.03(32) 4_664 . 4_665 N SI4 Cs14 K15 136.9(6) 4_664 . 2_555 N SI4 Cs14 K15 60.03(32) 4_664 . 4_665 N SI4 Cs14 Ow1 106.4(4) 4_664 . 3_655 N SI4 Cs14 K16 73.3(6) 4_664 . 2_655 N SI4 Cs14 K16 106.4(4) 4_664 . 3_655 N SI4 Cs14 Cs16 73.3(6) 4_664 . 2_655 N SI4 Cs14 Cs16 106.4(4) 4_664 . 3_655 N O6 Cs14 O8 110.2(5) 2_555 . 2_556 N O6 Cs14 O9 50.8(6) 2_555 . 2_555 N O6 Cs14 O10 89.8(5) 2_555 . 2_556 N O6 Cs14 O11 116.2(10) 2_555 . 3_655 N O6 Cs14 O12 82.2(4) 2_555 . 2_556 N O6 Cs14 O12 70.9(9) 2_555 . 3_655 N O6 Cs14 O13 46.2(5) 2_555 . 2_556 N O6 Cs14 O13 133.1(4) 2_555 . 3_656 N O6 Cs14 Cs15 137.2(4) 2_555 . 1_656 N O6 Cs14 Cs15 50.0(5) 2_555 . 2_555 N O6 Cs14 Cs15 133.2(12) 2_555 . 4_665 N O6 Cs14 K15 50.0(5) 2_555 . 2_555 N O6 Cs14 K15 133.2(12) 2_555 . 4_665 N O6 Cs14 Ow1 144.3(8) 2_555 . 3_655 N O6 Cs14 K16 102.2(10) 2_555 . 2_655 N O6 Cs14 K16 144.3(8) 2_555 . 3_655 N O6 Cs14 Cs16 102.2(10) 2_555 . 2_655 N O6 Cs14 Cs16 144.3(8) 2_555 . 3_655 N O8 Cs14 O9 84.4(4) 2_556 . 2_555 N O8 Cs14 O10 51.7(6) 2_556 . 2_556 N O8 Cs14 O11 132.9(11) 2_556 . 3_655 N O8 Cs14 O12 98.9(10) 2_556 . 2_556 N O8 Cs14 O12 174.9(7) 2_556 . 3_655 N O8 Cs14 O13 132.9(6) 2_556 . 2_556 N O8 Cs14 O13 93.4(11) 2_556 . 3_656 N O8 Cs14 Cs15 32.9(4) 2_556 . 1_656 N O8 Cs14 Cs15 63.5(4) 2_556 . 2_555 N O8 Cs14 Cs15 103.1(6) 2_556 . 4_665 N O8 Cs14 K15 63.5(4) 2_556 . 2_555 N O8 Cs14 K15 103.1(6) 2_556 . 4_665 N O8 Cs14 Ow1 55.8(6) 2_556 . 3_655 N O8 Cs14 K16 103.7(5) 2_556 . 2_655 N O8 Cs14 K16 55.8(6) 2_556 . 3_655 N O8 Cs14 Cs16 103.7(5) 2_556 . 2_655 N O8 Cs14 Cs16 55.8(6) 2_556 . 3_655 N O9 Cs14 O10 107.3(5) 2_555 . 2_556 N O9 Cs14 O11 131.8(12) 2_555 . 3_655 N O9 Cs14 O12 129.8(6) 2_555 . 2_556 N O9 Cs14 O12 92.8(11) 2_555 . 3_655 N O9 Cs14 O13 95.9(9) 2_555 . 2_556 N O9 Cs14 O13 176.0(7) 2_555 . 3_656 N O9 Cs14 Cs15 93.8(4) 2_555 . 1_656 N O9 Cs14 Cs15 63.3(4) 2_555 . 2_555 N O9 Cs14 Cs15 102.9(7) 2_555 . 4_665 N O9 Cs14 K15 63.3(4) 2_555 . 2_555 N O9 Cs14 K15 102.9(7) 2_555 . 4_665 N O9 Cs14 Ow1 93.6(6) 2_555 . 3_655 N O9 Cs14 K16 66.6(6) 2_555 . 2_655 N O9 Cs14 K16 93.6(6) 2_555 . 3_655 N O9 Cs14 Cs16 66.6(6) 2_555 . 2_655 N O9 Cs14 Cs16 93.6(6) 2_555 . 3_655 N O10 Cs14 O11 119.6(9) 2_556 . 3_655 N O10 Cs14 O12 48.6(5) 2_556 . 2_556 N O10 Cs14 O12 133.4(4) 2_556 . 3_655 N O10 Cs14 O13 84.2(4) 2_556 . 2_556 N O10 Cs14 O13 73.6(9) 2_556 . 3_656 N O10 Cs14 Cs15 77.9(7) 2_556 . 1_656 N O10 Cs14 Cs15 46.8(4) 2_556 . 2_555 N O10 Cs14 Cs15 137.0(12) 2_556 . 4_665 N O10 Cs14 K15 46.8(4) 2_556 . 2_555 N O10 Cs14 K15 137.0(12) 2_556 . 4_665 N O10 Cs14 Ow1 100.3(12) 2_556 . 3_655 N O10 Cs14 K16 155.3(8) 2_556 . 2_655 N O10 Cs14 K16 100.3(12) 2_556 . 3_655 N O10 Cs14 Cs16 155.3(8) 2_556 . 2_655 N O10 Cs14 Cs16 100.3(12) 2_556 . 3_655 N O11 Cs14 O12 80.3(4) 3_655 . 2_556 N O11 Cs14 O12 47.2(4) 3_655 . 3_655 N O11 Cs14 O13 79.5(4) 3_655 . 2_556 N O11 Cs14 O13 48.30(35) 3_655 . 3_656 N O11 Cs14 Cs15 105.4(6) 3_655 . 1_656 N O11 Cs14 Cs15 151.7(4) 3_655 . 2_555 N O11 Cs14 Cs15 47.84(30) 3_655 . 4_665 N O11 Cs14 K15 151.7(4) 3_655 . 2_555 N O11 Cs14 K15 47.84(30) 3_655 . 4_665 N O11 Cs14 Ow1 88.4(5) 3_655 . 3_655 N O11 Cs14 K16 74.4(5) 3_655 . 2_655 N O11 Cs14 K16 88.4(5) 3_655 . 3_655 N O11 Cs14 Cs16 74.4(5) 3_655 . 2_655 N O11 Cs14 Cs16 88.4(5) 3_655 . 3_655 N O12 Cs14 O12 86.2(4) 2_556 . 3_655 N O12 Cs14 O13 46.64(31) 2_556 . 2_556 N O12 Cs14 O13 53.7(5) 2_556 . 3_656 N O12 Cs14 Cs15 115.8(10) 2_556 . 1_656 N O12 Cs14 Cs15 73.7(4) 2_556 . 2_555 N O12 Cs14 Cs15 124.3(5) 2_556 . 4_665 N O12 Cs14 K15 73.7(4) 2_556 . 2_555 N O12 Cs14 K15 124.3(5) 2_556 . 4_665 N O12 Cs14 Ow1 129.6(14) 2_556 . 3_655 N O12 Cs14 K16 153.6(6) 2_556 . 2_655 N O12 Cs14 K16 129.6(14) 2_556 . 3_655 N O12 Cs14 Cs16 153.6(6) 2_556 . 2_655 N O12 Cs14 Cs16 129.6(14) 2_556 . 3_655 N O12 Cs14 O13 51.6(5) 3_655 . 2_556 N O12 Cs14 O13 89.20(35) 3_655 . 3_656 N O12 Cs14 Cs15 143.52(33) 3_655 . 1_656 N O12 Cs14 Cs15 119.0(8) 3_655 . 2_555 N O12 Cs14 Cs15 73.3(5) 3_655 . 4_665 N O12 Cs14 K15 119.0(8) 3_655 . 2_555 N O12 Cs14 K15 73.3(5) 3_655 . 4_665 N O12 Cs14 Ow1 120.3(6) 3_655 . 3_655 N O12 Cs14 K16 71.2(7) 3_655 . 2_655 N O12 Cs14 K16 120.3(6) 3_655 . 3_655 N O12 Cs14 Cs16 71.2(7) 3_655 . 2_655 N O12 Cs14 Cs16 120.3(6) 3_655 . 3_655 N O13 Cs14 O13 87.99(32) 2_556 . 3_656 N O13 Cs14 Cs15 161.5(9) 2_556 . 1_656 N O13 Cs14 Cs15 74.71(35) 2_556 . 2_555 N O13 Cs14 Cs15 122.4(6) 2_556 . 4_665 N O13 Cs14 K15 74.71(35) 2_556 . 2_555 N O13 Cs14 K15 122.4(6) 2_556 . 4_665 N O13 Cs14 Ow1 167.8(5) 2_556 . 3_655 N O13 Cs14 K16 119.7(11) 2_556 . 2_655 N O13 Cs14 K16 167.8(5) 2_556 . 3_655 N O13 Cs14 Cs16 119.7(11) 2_556 . 2_655 N O13 Cs14 Cs16 167.8(5) 2_556 . 3_655 N O13 Cs14 Cs15 82.6(8) 3_656 . 1_656 N O13 Cs14 Cs15 118.6(9) 3_656 . 2_555 N O13 Cs14 Cs15 74.4(5) 3_656 . 4_665 N O13 Cs14 K15 118.6(9) 3_656 . 2_555 N O13 Cs14 K15 74.4(5) 3_656 . 4_665 N O13 Cs14 Ow1 82.5(9) 3_656 . 3_655 N O13 Cs14 K16 110.9(4) 3_656 . 2_655 N O13 Cs14 K16 82.5(9) 3_656 . 3_655 N O13 Cs14 Cs16 110.9(4) 3_656 . 2_655 N O13 Cs14 Cs16 82.5(9) 3_656 . 3_655 N Cs15 Cs14 Cs15 95.9(5) 1_656 . 2_555 N Cs15 Cs14 Cs15 70.2(4) 1_656 . 4_665 N Cs15 Cs14 K15 95.9(5) 1_656 . 2_555 N Cs15 Cs14 K15 70.2(4) 1_656 . 4_665 N Cs15 Cs14 Ow1 23.4(5) 1_656 . 3_655 N Cs15 Cs14 K16 78.7(5) 1_656 . 2_655 N Cs15 Cs14 K16 23.4(5) 1_656 . 3_655 N Cs15 Cs14 Cs16 78.7(5) 1_656 . 2_655 N Cs15 Cs14 Cs16 23.4(5) 1_656 . 3_655 N Cs15 Cs14 Cs15 160.45(26) 2_555 . 4_665 N Cs15 Cs14 K15 0.0 2_555 . 2_555 N Cs15 Cs14 K15 160.45(26) 2_555 . 4_665 N Cs15 Cs14 Ow1 116.7(6) 2_555 . 3_655 N Cs15 Cs14 K16 129.0(7) 2_555 . 2_655 N Cs15 Cs14 K16 116.7(6) 2_555 . 3_655 N Cs15 Cs14 Cs16 129.0(7) 2_555 . 2_655 N Cs15 Cs14 Cs16 116.7(6) 2_555 . 3_655 N Cs15 Cs14 K15 160.45(26) 4_665 . 2_555 N Cs15 Cs14 K15 0.0 4_665 . 4_665 N Cs15 Cs14 Ow1 47.4(4) 4_665 . 3_655 N Cs15 Cs14 K16 36.7(4) 4_665 . 2_655 N Cs15 Cs14 K16 47.4(4) 4_665 . 3_655 N Cs15 Cs14 Cs16 36.7(4) 4_665 . 2_655 N Cs15 Cs14 Cs16 47.4(4) 4_665 . 3_655 N K15 Cs14 K15 160.45(26) 2_555 . 4_665 N K15 Cs14 Ow1 116.7(6) 2_555 . 3_655 N K15 Cs14 K16 129.0(7) 2_555 . 2_655 N K15 Cs14 K16 116.7(6) 2_555 . 3_655 N K15 Cs14 Cs16 129.0(7) 2_555 . 2_655 N K15 Cs14 Cs16 116.7(6) 2_555 . 3_655 N K15 Cs14 Ow1 47.4(4) 4_665 . 3_655 N K15 Cs14 K16 36.7(4) 4_665 . 2_655 N K15 Cs14 K16 47.4(4) 4_665 . 3_655 N K15 Cs14 Cs16 36.7(4) 4_665 . 2_655 N K15 Cs14 Cs16 47.4(4) 4_665 . 3_655 N Ow1 Cs14 K16 57.76(28) 3_655 . 2_655 N Ow1 Cs14 K16 0.0 3_655 . 3_655 N Ow1 Cs14 Cs16 57.76(28) 3_655 . 2_655 N Ow1 Cs14 Cs16 0.0 3_655 . 3_655 N K16 Cs14 K16 57.76(28) 2_655 . 3_655 N K16 Cs14 Cs16 0.0 2_655 . 2_655 N K16 Cs14 Cs16 57.76(28) 2_655 . 3_655 N K16 Cs14 Cs16 57.76(28) 3_655 . 2_655 N K16 Cs14 Cs16 0.0 3_655 . 3_655 N Cs16 Cs14 Cs16 57.76(28) 2_655 . 3_655 N ZR1 Cs15 SI2 51.71(33) 2_455 . 1_555 N ZR1 Cs15 SI2 146.4(5) 2_455 . 2_555 N ZR1 Cs15 SI4 150.6(5) 2_455 . 1_554 N ZR1 Cs15 SI4 53.15(34) 2_455 . 2_455 N ZR1 Cs15 O6 76.4(4) 2_455 . 1_555 N ZR1 Cs15 O8 28.7(4) 2_455 . 2_455 N ZR1 Cs15 O9 29.6(4) 2_455 . 2_455 N ZR1 Cs15 O10 80.2(4) 2_455 . 1_554 N ZR1 Cs15 O11 160.2(6) 2_455 . 2_555 N ZR1 Cs15 Cs14 48.9(4) 2_455 . 1_454 N ZR1 Cs15 Cs14 95.84(30) 2_455 . 2_455 N ZR1 Cs15 Cs14 143.4(4) 2_455 . 4_664 N ZR1 Cs15 Ow1 93.3(9) 2_455 . 2_555 N ZR1 Cs15 Ow1 75.4(9) 2_455 . 3_554 N ZR1 Cs15 K16 93.3(9) 2_455 . 2_555 N ZR1 Cs15 K16 75.4(9) 2_455 . 3_554 N ZR1 Cs15 Cs16 93.3(9) 2_455 . 2_555 N ZR1 Cs15 Cs16 75.4(9) 2_455 . 3_554 N SI2 Cs15 SI2 94.71(35) 1_555 . 2_555 N SI2 Cs15 SI4 124.1(4) 1_555 . 1_554 N SI2 Cs15 SI4 71.55(35) 1_555 . 2_455 N SI2 Cs15 O6 24.95(31) 1_555 . 1_555 N SI2 Cs15 O8 66.8(4) 1_555 . 2_455 N SI2 Cs15 O9 25.07(33) 1_555 . 2_455 N SI2 Cs15 O10 89.5(5) 1_555 . 1_554 N SI2 Cs15 O11 112.8(6) 1_555 . 2_555 N SI2 Cs15 Cs14 99.3(4) 1_555 . 1_454 N SI2 Cs15 Cs14 62.4(5) 1_555 . 2_455 N SI2 Cs15 Cs14 139.9(8) 1_555 . 4_664 N SI2 Cs15 Ow1 98.3(7) 1_555 . 2_555 N SI2 Cs15 Ow1 126.9(10) 1_555 . 3_554 N SI2 Cs15 K16 98.3(7) 1_555 . 2_555 N SI2 Cs15 K16 126.9(10) 1_555 . 3_554 N SI2 Cs15 Cs16 98.3(7) 1_555 . 2_555 N SI2 Cs15 Cs16 126.9(10) 1_555 . 3_554 N SI2 Cs15 SI4 44.70(29) 2_555 . 1_554 N SI2 Cs15 SI4 122.6(4) 2_555 . 2_455 N SI2 Cs15 O6 70.1(4) 2_555 . 1_555 N SI2 Cs15 O8 146.8(5) 2_555 . 2_455 N SI2 Cs15 O9 117.7(5) 2_555 . 2_455 N SI2 Cs15 O10 102.2(5) 2_555 . 1_554 N SI2 Cs15 O11 22.95(29) 2_555 . 2_555 N SI2 Cs15 Cs14 161.5(6) 2_555 . 1_454 N SI2 Cs15 Cs14 63.0(4) 2_555 . 2_455 N SI2 Cs15 Cs14 61.3(4) 2_555 . 4_664 N SI2 Cs15 Ow1 91.5(9) 2_555 . 2_555 N SI2 Cs15 Ow1 138.0(10) 2_555 . 3_554 N SI2 Cs15 K16 91.5(9) 2_555 . 2_555 N SI2 Cs15 K16 138.0(10) 2_555 . 3_554 N SI2 Cs15 Cs16 91.5(9) 2_555 . 2_555 N SI2 Cs15 Cs16 138.0(10) 2_555 . 3_554 N SI4 Cs15 SI4 97.5(4) 1_554 . 2_455 N SI4 Cs15 O6 105.2(5) 1_554 . 1_555 N SI4 Cs15 O8 123.0(6) 1_554 . 2_455 N SI4 Cs15 O9 148.0(5) 1_554 . 2_455 N SI4 Cs15 O10 70.5(4) 1_554 . 1_554 N SI4 Cs15 O11 22.13(29) 1_554 . 2_555 N SI4 Cs15 Cs14 116.9(5) 1_554 . 1_454 N SI4 Cs15 Cs14 64.5(4) 1_554 . 2_455 N SI4 Cs15 Cs14 62.1(4) 1_554 . 4_664 N SI4 Cs15 Ow1 115.5(9) 1_554 . 2_555 N SI4 Cs15 Ow1 98.7(10) 1_554 . 3_554 N SI4 Cs15 K16 115.5(9) 1_554 . 2_555 N SI4 Cs15 K16 98.7(10) 1_554 . 3_554 N SI4 Cs15 Cs16 115.5(9) 1_554 . 2_555 N SI4 Cs15 Cs16 98.7(10) 1_554 . 3_554 N SI4 Cs15 O6 88.8(6) 2_455 . 1_555 N SI4 Cs15 O8 27.1(4) 2_455 . 2_455 N SI4 Cs15 O9 68.8(4) 2_455 . 2_455 N SI4 Cs15 O10 27.14(32) 2_455 . 1_554 N SI4 Cs15 O11 113.4(6) 2_455 . 2_555 N SI4 Cs15 Cs14 52.35(29) 2_455 . 1_454 N SI4 Cs15 Cs14 61.4(5) 2_455 . 2_455 N SI4 Cs15 Cs14 148.0(8) 2_455 . 4_664 N SI4 Cs15 Ow1 144.4(10) 2_455 . 2_555 N SI4 Cs15 Ow1 73.3(6) 2_455 . 3_554 N SI4 Cs15 K16 144.4(10) 2_455 . 2_555 N SI4 Cs15 K16 73.3(6) 2_455 . 3_554 N SI4 Cs15 Cs16 144.4(10) 2_455 . 2_555 N SI4 Cs15 Cs16 73.3(6) 2_455 . 3_554 N O6 Cs15 O8 90.4(6) 1_555 . 2_455 N O6 Cs15 O9 48.1(4) 1_555 . 2_455 N O6 Cs15 O10 98.2(7) 1_555 . 1_554 N O6 Cs15 O11 89.7(5) 1_555 . 2_555 N O6 Cs15 Cs14 124.2(5) 1_555 . 1_454 N O6 Cs15 Cs14 54.7(7) 1_555 . 2_455 N O6 Cs15 Cs14 119.2(8) 1_555 . 4_664 N O6 Cs15 Ow1 94.8(8) 1_555 . 2_555 N O6 Cs15 Ow1 151.8(10) 1_555 . 3_554 N O6 Cs15 K16 94.8(8) 1_555 . 2_555 N O6 Cs15 K16 151.8(10) 1_555 . 3_554 N O6 Cs15 Cs16 94.8(8) 1_555 . 2_555 N O6 Cs15 Cs16 151.8(10) 1_555 . 3_554 N O8 Cs15 O9 52.9(5) 2_455 . 2_455 N O8 Cs15 O10 52.9(4) 2_455 . 1_554 N O8 Cs15 O11 140.5(7) 2_455 . 2_555 N O8 Cs15 Cs14 36.3(4) 2_455 . 1_454 N O8 Cs15 Cs14 83.9(5) 2_455 . 2_455 N O8 Cs15 Cs14 148.7(7) 2_455 . 4_664 N O8 Cs15 Ow1 117.4(10) 2_455 . 2_555 N O8 Cs15 Ow1 63.7(8) 2_455 . 3_554 N O8 Cs15 K16 117.4(10) 2_455 . 2_555 N O8 Cs15 K16 63.7(8) 2_455 . 3_554 N O8 Cs15 Cs16 117.4(10) 2_455 . 2_555 N O8 Cs15 Cs16 63.7(8) 2_455 . 3_554 N O9 Cs15 O10 93.8(5) 2_455 . 1_554 N O9 Cs15 O11 137.6(6) 2_455 . 2_555 N O9 Cs15 Cs14 78.5(5) 2_455 . 1_454 N O9 Cs15 Cs14 83.8(5) 2_455 . 2_455 N O9 Cs15 Cs14 141.2(7) 2_455 . 4_664 N O9 Cs15 Ow1 87.5(9) 2_455 . 2_555 N O9 Cs15 Ow1 104.2(10) 2_455 . 3_554 N O9 Cs15 K16 87.5(9) 2_455 . 2_555 N O9 Cs15 K16 104.2(10) 2_455 . 3_554 N O9 Cs15 Cs16 87.5(9) 2_455 . 2_555 N O9 Cs15 Cs16 104.2(10) 2_455 . 3_554 N O10 Cs15 O11 88.0(5) 1_554 . 2_555 N O10 Cs15 Cs14 66.2(5) 1_554 . 1_454 N O10 Cs15 Cs14 51.7(7) 1_554 . 2_455 N O10 Cs15 Cs14 125.0(8) 1_554 . 4_664 N O10 Cs15 Ow1 163.7(9) 1_554 . 2_555 N O10 Cs15 Ow1 75.7(7) 1_554 . 3_554 N O10 Cs15 K16 163.7(9) 1_554 . 2_555 N O10 Cs15 K16 75.7(7) 1_554 . 3_554 N O10 Cs15 Cs16 163.7(9) 1_554 . 2_555 N O10 Cs15 Cs16 75.7(7) 1_554 . 3_554 N O11 Cs15 Cs14 138.6(6) 2_555 . 1_454 N O11 Cs15 Cs14 64.4(5) 2_555 . 2_455 N O11 Cs15 Cs14 56.2(5) 2_555 . 4_664 N O11 Cs15 Ow1 102.0(10) 2_555 . 2_555 N O11 Cs15 Ow1 117.1(11) 2_555 . 3_554 N O11 Cs15 K16 102.0(10) 2_555 . 2_555 N O11 Cs15 K16 117.1(11) 2_555 . 3_554 N O11 Cs15 Cs16 102.0(10) 2_555 . 2_555 N O11 Cs15 Cs16 117.1(11) 2_555 . 3_554 N Cs14 Cs15 Cs14 113.5(4) 1_454 . 2_455 N Cs14 Cs15 Cs14 112.5(6) 1_454 . 4_664 N Cs14 Cs15 Ow1 98.3(8) 1_454 . 2_555 N Cs14 Cs15 Ow1 28.1(8) 1_454 . 3_554 N Cs14 Cs15 K16 98.3(8) 1_454 . 2_555 N Cs14 Cs15 K16 28.1(8) 1_454 . 3_554 N Cs14 Cs15 Cs16 98.3(8) 1_454 . 2_555 N Cs14 Cs15 Cs16 28.1(8) 1_454 . 3_554 N Cs14 Cs15 Cs14 120.47(33) 2_455 . 4_664 N Cs14 Cs15 Ow1 144.4(9) 2_455 . 2_555 N Cs14 Cs15 Ow1 127.4(9) 2_455 . 3_554 N Cs14 Cs15 K16 144.4(9) 2_455 . 2_555 N Cs14 Cs15 K16 127.4(9) 2_455 . 3_554 N Cs14 Cs15 Cs16 144.4(9) 2_455 . 2_555 N Cs14 Cs15 Cs16 127.4(9) 2_455 . 3_554 N Cs14 Cs15 Ow1 54.7(9) 4_664 . 2_555 N Cs14 Cs15 Ow1 85.2(9) 4_664 . 3_554 N Cs14 Cs15 K16 54.7(9) 4_664 . 2_555 N Cs14 Cs15 K16 85.2(9) 4_664 . 3_554 N Cs14 Cs15 Cs16 54.7(9) 4_664 . 2_555 N Cs14 Cs15 Cs16 85.2(9) 4_664 . 3_554 N Ow1 Cs15 Ow1 88.1(5) 2_555 . 3_554 N Ow1 Cs15 K16 0.0 2_555 . 2_555 N Ow1 Cs15 K16 88.1(5) 2_555 . 3_554 N Ow1 Cs15 Cs16 0.0 2_555 . 2_555 N Ow1 Cs15 Cs16 88.1(5) 2_555 . 3_554 N Ow1 Cs15 K16 88.1(5) 3_554 . 2_555 N Ow1 Cs15 K16 0.0 3_554 . 3_554 N Ow1 Cs15 Cs16 88.1(5) 3_554 . 2_555 N Ow1 Cs15 Cs16 0.0 3_554 . 3_554 N K16 Cs15 K16 88.1(5) 2_555 . 3_554 N K16 Cs15 Cs16 0.0 2_555 . 2_555 N K16 Cs15 Cs16 88.1(5) 2_555 . 3_554 N K16 Cs15 Cs16 88.1(5) 3_554 . 2_555 N K16 Cs15 Cs16 0.0 3_554 . 3_554 N Cs16 Cs15 Cs16 88.1(5) 2_555 . 3_554 N SI4 K15 O6 88.8(6) 2_455 . 1_555 N SI4 K15 O8 27.1(4) 2_455 . 2_455 N SI4 K15 O10 27.14(32) 2_455 . 1_554 N SI4 K15 O11 113.4(6) 2_455 . 2_555 N SI4 K15 Cs14 61.4(5) 2_455 . 2_455 N SI4 K15 Cs14 148.0(8) 2_455 . 4_664 N SI4 K15 Ow1 144.4(10) 2_455 . 2_555 N SI4 K15 Ow1 73.3(6) 2_455 . 3_554 N SI4 K15 K16 144.4(10) 2_455 . 2_555 N SI4 K15 K16 73.3(6) 2_455 . 3_554 N SI4 K15 Cs16 144.4(10) 2_455 . 2_555 N SI4 K15 Cs16 73.3(6) 2_455 . 3_554 N O6 K15 O8 90.4(6) 1_555 . 2_455 N O6 K15 O10 98.2(7) 1_555 . 1_554 N O6 K15 O11 89.7(5) 1_555 . 2_555 N O6 K15 Cs14 54.7(7) 1_555 . 2_455 N O6 K15 Cs14 119.2(8) 1_555 . 4_664 N O6 K15 Ow1 94.8(8) 1_555 . 2_555 N O6 K15 Ow1 151.8(10) 1_555 . 3_554 N O6 K15 K16 94.8(8) 1_555 . 2_555 N O6 K15 K16 151.8(10) 1_555 . 3_554 N O6 K15 Cs16 94.8(8) 1_555 . 2_555 N O6 K15 Cs16 151.8(10) 1_555 . 3_554 N O8 K15 O10 52.9(4) 2_455 . 1_554 N O8 K15 O11 140.5(7) 2_455 . 2_555 N O8 K15 Cs14 83.9(5) 2_455 . 2_455 N O8 K15 Cs14 148.7(7) 2_455 . 4_664 N O8 K15 Ow1 117.4(10) 2_455 . 2_555 N O8 K15 Ow1 63.7(8) 2_455 . 3_554 N O8 K15 K16 117.4(10) 2_455 . 2_555 N O8 K15 K16 63.7(8) 2_455 . 3_554 N O8 K15 Cs16 117.4(10) 2_455 . 2_555 N O8 K15 Cs16 63.7(8) 2_455 . 3_554 N O10 K15 O11 88.0(5) 1_554 . 2_555 N O10 K15 Cs14 51.7(7) 1_554 . 2_455 N O10 K15 Cs14 125.0(8) 1_554 . 4_664 N O10 K15 Ow1 163.7(9) 1_554 . 2_555 N O10 K15 Ow1 75.7(7) 1_554 . 3_554 N O10 K15 K16 163.7(9) 1_554 . 2_555 N O10 K15 K16 75.7(7) 1_554 . 3_554 N O10 K15 Cs16 163.7(9) 1_554 . 2_555 N O10 K15 Cs16 75.7(7) 1_554 . 3_554 N O11 K15 Cs14 64.4(5) 2_555 . 2_455 N O11 K15 Cs14 56.2(5) 2_555 . 4_664 N O11 K15 Ow1 102.0(10) 2_555 . 2_555 N O11 K15 Ow1 117.1(11) 2_555 . 3_554 N O11 K15 K16 102.0(10) 2_555 . 2_555 N O11 K15 K16 117.1(11) 2_555 . 3_554 N O11 K15 Cs16 102.0(10) 2_555 . 2_555 N O11 K15 Cs16 117.1(11) 2_555 . 3_554 N Cs14 K15 Cs14 120.47(33) 2_455 . 4_664 N Cs14 K15 Ow1 144.4(9) 2_455 . 2_555 N Cs14 K15 Ow1 127.4(9) 2_455 . 3_554 N Cs14 K15 K16 144.4(9) 2_455 . 2_555 N Cs14 K15 K16 127.4(9) 2_455 . 3_554 N Cs14 K15 Cs16 144.4(9) 2_455 . 2_555 N Cs14 K15 Cs16 127.4(9) 2_455 . 3_554 N Cs14 K15 Ow1 54.7(9) 4_664 . 2_555 N Cs14 K15 Ow1 85.2(9) 4_664 . 3_554 N Cs14 K15 K16 54.7(9) 4_664 . 2_555 N Cs14 K15 K16 85.2(9) 4_664 . 3_554 N Cs14 K15 Cs16 54.7(9) 4_664 . 2_555 N Cs14 K15 Cs16 85.2(9) 4_664 . 3_554 N Ow1 K15 Ow1 88.1(5) 2_555 . 3_554 N Ow1 K15 K16 0.0 2_555 . 2_555 N Ow1 K15 K16 88.1(5) 2_555 . 3_554 N Ow1 K15 Cs16 0.0 2_555 . 2_555 N Ow1 K15 Cs16 88.1(5) 2_555 . 3_554 N Ow1 K15 K16 88.1(5) 3_554 . 2_555 N Ow1 K15 K16 0.0 3_554 . 3_554 N Ow1 K15 Cs16 88.1(5) 3_554 . 2_555 N Ow1 K15 Cs16 0.0 3_554 . 3_554 N K16 K15 K16 88.1(5) 2_555 . 3_554 N K16 K15 Cs16 0.0 2_555 . 2_555 N K16 K15 Cs16 88.1(5) 2_555 . 3_554 N K16 K15 Cs16 88.1(5) 3_554 . 2_555 N K16 K15 Cs16 0.0 3_554 . 3_554 N Cs16 K15 Cs16 88.1(5) 2_555 . 3_554 N Cs14 Ow1 Cs15 77.9(9) 3_645 . 2_455 N Cs14 Ow1 Cs15 128.4(12) 3_645 . 3_544 N Cs14 Ow1 K15 77.9(9) 3_645 . 2_455 N Cs14 Ow1 K15 128.4(12) 3_645 . 3_544 N Cs15 Ow1 Cs15 150.3(12) 2_455 . 3_544 N Cs15 Ow1 K15 0.0 2_455 . 2_455 N Cs15 Ow1 K15 150.3(12) 2_455 . 3_544 N Cs15 Ow1 K15 150.3(12) 3_544 . 2_455 N Cs15 Ow1 K15 0.0 3_544 . 3_544 N K15 Ow1 K15 150.3(12) 2_455 . 3_544 N K16 Ow3 K16 88.1(5) 2_555 . 3_554 N K16 Ow3 Cs16 0.0 2_555 . 2_555 N K16 Ow3 Cs16 88.1(5) 2_555 . 3_554 N K16 Ow3 Cs16 88.1(5) 3_554 . 2_555 N K16 Ow3 Cs16 0.0 3_554 . 3_554 N Cs16 Ow3 Cs16 88.1(5) 2_555 . 3_554 N O5 K16 O8 99.7(7) 3_545 . 4_554 N O5 K16 Cs14 76.2(10) 3_545 . 2_355 N O5 K16 Cs14 114.6(10) 3_545 . 3_645 N O5 K16 Cs15 100.0(10) 3_545 . 2_455 N O5 K16 Cs15 82.2(11) 3_545 . 3_544 N O5 K16 K15 100.0(10) 3_545 . 2_455 N O5 K16 K15 82.2(11) 3_545 . 3_544 N O5 K16 Ow3 100.0(10) 3_545 . 2_455 N O5 K16 Ow3 82.2(11) 3_545 . 3_544 N O5 K16 K16 114.4(18) 3_545 . 4_454 N O5 K16 K16 61.4(10) 3_545 . 4_455 N O5 K16 Cs16 114.4(18) 3_545 . 4_454 N O5 K16 Cs16 61.4(10) 3_545 . 4_455 N O8 K16 Cs14 122.4(9) 4_554 . 2_355 N O8 K16 Cs14 64.8(9) 4_554 . 3_645 N O8 K16 Cs15 142.3(16) 4_554 . 2_455 N O8 K16 Cs15 64.4(6) 4_554 . 3_544 N O8 K16 K15 142.3(16) 4_554 . 2_455 N O8 K16 K15 64.4(6) 4_554 . 3_544 N O8 K16 Ow3 142.3(16) 4_554 . 2_455 N O8 K16 Ow3 64.4(6) 4_554 . 3_544 N O8 K16 K16 93.7(8) 4_554 . 4_454 N O8 K16 K16 126.2(10) 4_554 . 4_455 N O8 K16 Cs16 93.7(8) 4_554 . 4_454 N O8 K16 Cs16 126.2(10) 4_554 . 4_455 N Cs14 K16 Cs14 167.0(8) 2_355 . 3_645 N Cs14 K16 Cs15 93.4(8) 2_355 . 2_455 N Cs14 K16 Cs15 58.1(8) 2_355 . 3_544 N Cs14 K16 K15 93.4(8) 2_355 . 2_455 N Cs14 K16 K15 58.1(8) 2_355 . 3_544 N Cs14 K16 Ow3 93.4(8) 2_355 . 2_455 N Cs14 K16 Ow3 58.1(8) 2_355 . 3_544 N Cs14 K16 K16 44.1(11) 2_355 . 4_454 N Cs14 K16 K16 102.4(14) 2_355 . 4_455 N Cs14 K16 Cs16 44.1(11) 2_355 . 4_454 N Cs14 K16 Cs16 102.4(14) 2_355 . 4_455 N Cs14 K16 Cs15 77.9(9) 3_645 . 2_455 N Cs14 K16 Cs15 128.4(12) 3_645 . 3_544 N Cs14 K16 K15 77.9(9) 3_645 . 2_455 N Cs14 K16 K15 128.4(12) 3_645 . 3_544 N Cs14 K16 Ow3 77.9(9) 3_645 . 2_455 N Cs14 K16 Ow3 128.4(12) 3_645 . 3_544 N Cs14 K16 K16 129.0(18) 3_645 . 4_454 N Cs14 K16 K16 78.1(12) 3_645 . 4_455 N Cs14 K16 Cs16 129.0(18) 3_645 . 4_454 N Cs14 K16 Cs16 78.1(12) 3_645 . 4_455 N Cs15 K16 Cs15 150.3(12) 2_455 . 3_544 N Cs15 K16 K15 0.0 2_455 . 2_455 N Cs15 K16 K15 150.3(12) 2_455 . 3_544 N Cs15 K16 Ow3 0.0 2_455 . 2_455 N Cs15 K16 Ow3 150.3(12) 2_455 . 3_544 N Cs15 K16 K16 106.7(8) 2_455 . 4_454 N Cs15 K16 K16 43.9(6) 2_455 . 4_455 N Cs15 K16 Cs16 106.7(8) 2_455 . 4_454 N Cs15 K16 Cs16 43.9(6) 2_455 . 4_455 N Cs15 K16 K15 150.3(12) 3_544 . 2_455 N Cs15 K16 K15 0.0 3_544 . 3_544 N Cs15 K16 Ow3 150.3(12) 3_544 . 2_455 N Cs15 K16 Ow3 0.0 3_544 . 3_544 N Cs15 K16 K16 47.9(6) 3_544 . 4_454 N Cs15 K16 K16 142.7(20) 3_544 . 4_455 N Cs15 K16 Cs16 47.9(6) 3_544 . 4_454 N Cs15 K16 Cs16 142.7(20) 3_544 . 4_455 N K15 K16 K15 150.3(12) 2_455 . 3_544 N K15 K16 Ow3 0.0 2_455 . 2_455 N K15 K16 Ow3 150.3(12) 2_455 . 3_544 N K15 K16 K16 106.7(8) 2_455 . 4_454 N K15 K16 K16 43.9(6) 2_455 . 4_455 N K15 K16 Cs16 106.7(8) 2_455 . 4_454 N K15 K16 Cs16 43.9(6) 2_455 . 4_455 N K15 K16 Ow3 150.3(12) 3_544 . 2_455 N K15 K16 Ow3 0.0 3_544 . 3_544 N K15 K16 K16 47.9(6) 3_544 . 4_454 N K15 K16 K16 142.7(20) 3_544 . 4_455 N K15 K16 Cs16 47.9(6) 3_544 . 4_454 N K15 K16 Cs16 142.7(20) 3_544 . 4_455 N Ow3 K16 Ow3 150.3(12) 2_455 . 3_544 N Ow3 K16 K16 106.7(8) 2_455 . 4_454 N Ow3 K16 K16 43.9(6) 2_455 . 4_455 N Ow3 K16 Cs16 106.7(8) 2_455 . 4_454 N Ow3 K16 Cs16 43.9(6) 2_455 . 4_455 N Ow3 K16 K16 47.9(6) 3_544 . 4_454 N Ow3 K16 K16 142.7(20) 3_544 . 4_455 N Ow3 K16 Cs16 47.9(6) 3_544 . 4_454 N Ow3 K16 Cs16 142.7(20) 3_544 . 4_455 N K16 K16 K16 140.0(16) 4_454 . 4_455 N K16 K16 Cs16 0.0 4_454 . 4_454 N K16 K16 Cs16 140.0(16) 4_454 . 4_455 N K16 K16 Cs16 140.0(16) 4_455 . 4_454 N K16 K16 Cs16 0.0 4_455 . 4_455 N Cs16 K16 Cs16 140.0(16) 4_454 . 4_455 N ZR1 Cs16 SI3 51.8(5) 4_554 . 1_554 N ZR1 Cs16 SI3 141.8(7) 4_554 . 4_454 N ZR1 Cs16 SI4 50.0(4) 4_554 . 4_554 N ZR1 Cs16 O5 124.4(6) 4_554 . 3_545 N ZR1 Cs16 O7 27.7(4) 4_554 . 4_554 N ZR1 Cs16 O8 25.6(5) 4_554 . 4_554 N ZR1 Cs16 O10 71.8(5) 4_554 . 3_545 N ZR1 Cs16 Cs14 117.2(7) 4_554 . 2_355 N ZR1 Cs16 Cs14 63.9(9) 4_554 . 3_645 N ZR1 Cs16 Cs15 129.8(13) 4_554 . 2_455 N ZR1 Cs16 Cs15 66.7(6) 4_554 . 3_544 N ZR1 Cs16 K15 129.8(13) 4_554 . 2_455 N ZR1 Cs16 K15 66.7(6) 4_554 . 3_544 N ZR1 Cs16 Ow3 129.8(13) 4_554 . 2_455 N ZR1 Cs16 Ow3 66.7(6) 4_554 . 3_544 N ZR1 Cs16 K16 77.3(8) 4_554 . 4_454 N ZR1 Cs16 K16 140.4(14) 4_554 . 4_455 N ZR1 Cs16 Cs16 77.3(8) 4_554 . 4_454 N ZR1 Cs16 Cs16 140.4(14) 4_554 . 4_455 N SI3 Cs16 SI3 158.1(8) 1_554 . 4_454 N SI3 Cs16 SI4 101.5(8) 1_554 . 4_554 N SI3 Cs16 O5 174.1(9) 1_554 . 3_545 N SI3 Cs16 O7 24.7(4) 1_554 . 4_554 N SI3 Cs16 O8 77.0(9) 1_554 . 4_554 N SI3 Cs16 O10 123.1(8) 1_554 . 3_545 N SI3 Cs16 Cs14 101.3(6) 1_554 . 2_355 N SI3 Cs16 Cs14 68.7(10) 1_554 . 3_645 N SI3 Cs16 Cs15 85.4(8) 1_554 . 2_455 N SI3 Cs16 Cs15 91.9(8) 1_554 . 3_544 N SI3 Cs16 K15 85.4(8) 1_554 . 2_455 N SI3 Cs16 K15 91.9(8) 1_554 . 3_544 N SI3 Cs16 Ow3 85.4(8) 1_554 . 2_455 N SI3 Cs16 Ow3 91.9(8) 1_554 . 3_544 N SI3 Cs16 K16 61.4(9) 1_554 . 4_454 N SI3 Cs16 K16 124.5(13) 1_554 . 4_455 N SI3 Cs16 Cs16 61.4(9) 1_554 . 4_454 N SI3 Cs16 Cs16 124.5(13) 1_554 . 4_455 N SI3 Cs16 SI4 96.0(7) 4_454 . 4_554 N SI3 Cs16 O5 22.1(4) 4_454 . 3_545 N SI3 Cs16 O7 159.7(11) 4_454 . 4_554 N SI3 Cs16 O8 119.6(8) 4_454 . 4_554 N SI3 Cs16 O10 71.5(7) 4_454 . 3_545 N SI3 Cs16 Cs14 58.4(7) 4_454 . 2_355 N SI3 Cs16 Cs14 129.8(10) 4_454 . 3_645 N SI3 Cs16 Cs15 87.6(9) 4_454 . 2_455 N SI3 Cs16 Cs15 83.9(11) 4_454 . 3_544 N SI3 Cs16 K15 87.6(9) 4_454 . 2_455 N SI3 Cs16 K15 83.9(11) 4_454 . 3_544 N SI3 Cs16 Ow3 87.6(9) 4_454 . 2_455 N SI3 Cs16 Ow3 83.9(11) 4_454 . 3_544 N SI3 Cs16 K16 101.2(16) 4_454 . 4_454 N SI3 Cs16 K16 59.4(11) 4_454 . 4_455 N SI3 Cs16 Cs16 101.2(16) 4_454 . 4_454 N SI3 Cs16 Cs16 59.4(11) 4_454 . 4_455 N SI4 Cs16 O5 75.4(5) 4_554 . 3_545 N SI4 Cs16 O7 77.7(6) 4_554 . 4_554 N SI4 Cs16 O8 24.5(4) 4_554 . 4_554 N SI4 Cs16 O10 25.68(29) 4_554 . 3_545 N SI4 Cs16 Cs14 117.9(8) 4_554 . 2_355 N SI4 Cs16 Cs14 73.4(6) 4_554 . 3_645 N SI4 Cs16 Cs15 145.3(10) 4_554 . 2_455 N SI4 Cs16 Cs15 64.1(5) 4_554 . 3_544 N SI4 Cs16 K15 145.3(10) 4_554 . 2_455 N SI4 Cs16 K15 64.1(5) 4_554 . 3_544 N SI4 Cs16 Ow3 145.3(10) 4_554 . 2_455 N SI4 Cs16 Ow3 64.1(5) 4_554 . 3_544 N SI4 Cs16 K16 106.3(6) 4_554 . 4_454 N SI4 Cs16 K16 110.1(6) 4_554 . 4_455 N SI4 Cs16 Cs16 106.3(6) 4_554 . 4_454 N SI4 Cs16 Cs16 110.1(6) 4_554 . 4_455 N O5 Cs16 O7 150.7(8) 3_545 . 4_554 N O5 Cs16 O8 99.7(7) 3_545 . 4_554 N O5 Cs16 O10 52.6(6) 3_545 . 3_545 N O5 Cs16 Cs14 76.2(10) 3_545 . 2_355 N O5 Cs16 Cs14 114.6(10) 3_545 . 3_645 N O5 Cs16 Cs15 100.0(10) 3_545 . 2_455 N O5 Cs16 Cs15 82.2(11) 3_545 . 3_544 N O5 Cs16 K15 100.0(10) 3_545 . 2_455 N O5 Cs16 K15 82.2(11) 3_545 . 3_544 N O5 Cs16 Ow3 100.0(10) 3_545 . 2_455 N O5 Cs16 Ow3 82.2(11) 3_545 . 3_544 N O5 Cs16 K16 114.4(18) 3_545 . 4_454 N O5 Cs16 K16 61.4(10) 3_545 . 4_455 N O5 Cs16 Cs16 114.4(18) 3_545 . 4_454 N O5 Cs16 Cs16 61.4(10) 3_545 . 4_455 N O7 Cs16 O8 53.2(7) 4_554 . 4_554 N O7 Cs16 O10 98.5(7) 4_554 . 3_545 N O7 Cs16 Cs14 107.2(9) 4_554 . 2_355 N O7 Cs16 Cs14 67.4(12) 4_554 . 3_645 N O7 Cs16 Cs15 108.7(12) 4_554 . 2_455 N O7 Cs16 Cs15 75.9(9) 4_554 . 3_544 N O7 Cs16 K15 108.7(12) 4_554 . 2_455 N O7 Cs16 K15 75.9(9) 4_554 . 3_544 N O7 Cs16 Ow3 108.7(12) 4_554 . 2_455 N O7 Cs16 Ow3 75.9(9) 4_554 . 3_544 N O7 Cs16 K16 63.1(10) 4_554 . 4_454 N O7 Cs16 K16 140.9(19) 4_554 . 4_455 N O7 Cs16 Cs16 63.1(10) 4_554 . 4_454 N O7 Cs16 Cs16 140.9(19) 4_554 . 4_455 N O8 Cs16 O10 48.1(4) 4_554 . 3_545 N O8 Cs16 Cs14 122.4(9) 4_554 . 2_355 N O8 Cs16 Cs14 64.8(9) 4_554 . 3_645 N O8 Cs16 Cs15 142.3(16) 4_554 . 2_455 N O8 Cs16 Cs15 64.4(6) 4_554 . 3_544 N O8 Cs16 K15 142.3(16) 4_554 . 2_455 N O8 Cs16 K15 64.4(6) 4_554 . 3_544 N O8 Cs16 Ow3 142.3(16) 4_554 . 2_455 N O8 Cs16 Ow3 64.4(6) 4_554 . 3_544 N O8 Cs16 K16 93.7(8) 4_554 . 4_454 N O8 Cs16 K16 126.2(10) 4_554 . 4_455 N O8 Cs16 Cs16 93.7(8) 4_554 . 4_454 N O8 Cs16 Cs16 126.2(10) 4_554 . 4_455 N O10 Cs16 Cs14 97.4(9) 3_545 . 2_355 N O10 Cs16 Cs14 95.2(7) 3_545 . 3_645 N O10 Cs16 Cs15 146.3(10) 3_545 . 2_455 N O10 Cs16 Cs15 55.3(6) 3_545 . 3_544 N O10 Cs16 K15 146.3(10) 3_545 . 2_455 N O10 Cs16 K15 55.3(6) 3_545 . 3_544 N O10 Cs16 Ow3 146.3(10) 3_545 . 2_455 N O10 Cs16 Ow3 55.3(6) 3_545 . 3_544 N O10 Cs16 K16 103.2(9) 3_545 . 4_454 N O10 Cs16 K16 102.4(9) 3_545 . 4_455 N O10 Cs16 Cs16 103.2(9) 3_545 . 4_454 N O10 Cs16 Cs16 102.4(9) 3_545 . 4_455 N Cs14 Cs16 Cs14 167.0(8) 2_355 . 3_645 N Cs14 Cs16 Cs15 93.4(8) 2_355 . 2_455 N Cs14 Cs16 Cs15 58.1(8) 2_355 . 3_544 N Cs14 Cs16 K15 93.4(8) 2_355 . 2_455 N Cs14 Cs16 K15 58.1(8) 2_355 . 3_544 N Cs14 Cs16 Ow3 93.4(8) 2_355 . 2_455 N Cs14 Cs16 Ow3 58.1(8) 2_355 . 3_544 N Cs14 Cs16 K16 44.1(11) 2_355 . 4_454 N Cs14 Cs16 K16 102.4(14) 2_355 . 4_455 N Cs14 Cs16 Cs16 44.1(11) 2_355 . 4_454 N Cs14 Cs16 Cs16 102.4(14) 2_355 . 4_455 N Cs14 Cs16 Cs15 77.9(9) 3_645 . 2_455 N Cs14 Cs16 Cs15 128.4(12) 3_645 . 3_544 N Cs14 Cs16 K15 77.9(9) 3_645 . 2_455 N Cs14 Cs16 K15 128.4(12) 3_645 . 3_544 N Cs14 Cs16 Ow3 77.9(9) 3_645 . 2_455 N Cs14 Cs16 Ow3 128.4(12) 3_645 . 3_544 N Cs14 Cs16 K16 129.0(18) 3_645 . 4_454 N Cs14 Cs16 K16 78.1(12) 3_645 . 4_455 N Cs14 Cs16 Cs16 129.0(18) 3_645 . 4_454 N Cs14 Cs16 Cs16 78.1(12) 3_645 . 4_455 N Cs15 Cs16 Cs15 150.3(12) 2_455 . 3_544 N Cs15 Cs16 K15 0.0 2_455 . 2_455 N Cs15 Cs16 K15 150.3(12) 2_455 . 3_544 N Cs15 Cs16 Ow3 0.0 2_455 . 2_455 N Cs15 Cs16 Ow3 150.3(12) 2_455 . 3_544 N Cs15 Cs16 K16 106.7(8) 2_455 . 4_454 N Cs15 Cs16 K16 43.9(6) 2_455 . 4_455 N Cs15 Cs16 Cs16 106.7(8) 2_455 . 4_454 N Cs15 Cs16 Cs16 43.9(6) 2_455 . 4_455 N Cs15 Cs16 K15 150.3(12) 3_544 . 2_455 N Cs15 Cs16 K15 0.0 3_544 . 3_544 N Cs15 Cs16 Ow3 150.3(12) 3_544 . 2_455 N Cs15 Cs16 Ow3 0.0 3_544 . 3_544 N Cs15 Cs16 K16 47.9(6) 3_544 . 4_454 N Cs15 Cs16 K16 142.7(20) 3_544 . 4_455 N Cs15 Cs16 Cs16 47.9(6) 3_544 . 4_454 N Cs15 Cs16 Cs16 142.7(20) 3_544 . 4_455 N K15 Cs16 K15 150.3(12) 2_455 . 3_544 N K15 Cs16 Ow3 0.0 2_455 . 2_455 N K15 Cs16 Ow3 150.3(12) 2_455 . 3_544 N K15 Cs16 K16 106.7(8) 2_455 . 4_454 N K15 Cs16 K16 43.9(6) 2_455 . 4_455 N K15 Cs16 Cs16 106.7(8) 2_455 . 4_454 N K15 Cs16 Cs16 43.9(6) 2_455 . 4_455 N K15 Cs16 Ow3 150.3(12) 3_544 . 2_455 N K15 Cs16 Ow3 0.0 3_544 . 3_544 N K15 Cs16 K16 47.9(6) 3_544 . 4_454 N K15 Cs16 K16 142.7(20) 3_544 . 4_455 N K15 Cs16 Cs16 47.9(6) 3_544 . 4_454 N K15 Cs16 Cs16 142.7(20) 3_544 . 4_455 N Ow3 Cs16 Ow3 150.3(12) 2_455 . 3_544 N Ow3 Cs16 K16 106.7(8) 2_455 . 4_454 N Ow3 Cs16 K16 43.9(6) 2_455 . 4_455 N Ow3 Cs16 Cs16 106.7(8) 2_455 . 4_454 N Ow3 Cs16 Cs16 43.9(6) 2_455 . 4_455 N Ow3 Cs16 K16 47.9(6) 3_544 . 4_454 N Ow3 Cs16 K16 142.7(20) 3_544 . 4_455 N Ow3 Cs16 Cs16 47.9(6) 3_544 . 4_454 N Ow3 Cs16 Cs16 142.7(20) 3_544 . 4_455 N K16 Cs16 K16 140.0(16) 4_454 . 4_455 N K16 Cs16 Cs16 0.0 4_454 . 4_454 N K16 Cs16 Cs16 140.0(16) 4_454 . 4_455 N K16 Cs16 Cs16 140.0(16) 4_455 . 4_454 N K16 Cs16 Cs16 0.0 4_455 . 4_455 N Cs16 Cs16 Cs16 140.0(16) 4_454 . 4_455 N loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_1 _geom_bond_site_symmetry_2 _geom_bond_publ_flag ZR1 O5 2.164(15) . 1_555 N ZR1 O6 2.035(24) . 1_555 N ZR1 O7 2.050(14) . 1_555 N ZR1 O8 2.007(23) . 1_555 N ZR1 O9 2.018(23) . 1_555 N ZR1 O10 2.048(21) . 1_555 N ZR1 Cs14 4.08(4) . 2_455 N ZR1 Cs14 4.09(4) . 2_456 N ZR1 Cs15 4.539(23) . 1_555 N ZR1 Cs15 4.366(23) . 1_556 N ZR1 Cs15 4.079(16) . 2_555 N ZR1 K15 4.366(23) . 1_556 N ZR1 K15 4.079(16) . 2_555 N ZR1 K16 4.30(4) . 4_555 N ZR1 Cs16 4.432(31) . 3_555 N ZR1 Cs16 4.30(4) . 4_555 N SI2 SI3 2.937(17) . 1_554 N SI2 SI4 2.996(18) . 2_456 N SI2 O6 1.673(18) . 1_555 N SI2 O9 1.651(19) . 2_455 N SI2 O11 1.652(16) . 1_555 N SI2 O13 1.666(17) . 1_554 N SI2 Cs14 4.155(20) . 1_455 N SI2 Cs14 4.115(27) . 2_455 N SI2 Cs14 3.971(20) . 3_645 N SI2 Cs15 3.891(19) . 1_555 N SI2 Cs15 3.910(18) . 2_455 N SI2 K15 3.891(19) . 1_555 N SI2 K15 3.910(18) . 2_455 N SI3 SI2 2.937(17) . 1_556 N SI3 SI4 2.924(17) . 2_456 N SI3 O5 1.645(17) . 2_456 N SI3 O7 1.661(17) . 4_555 N SI3 O12 1.674(18) . 1_555 N SI3 O13 1.673(18) . 1_555 N SI3 Cs14 4.115(14) . 2_456 N SI3 Cs14 4.21(4) . 3_645 N SI3 Cs14 4.09(4) . 3_646 N SI3 K16 3.94(4) . 1_556 N SI3 K16 4.02(4) . 4_455 N SI3 Cs16 3.94(4) . 1_556 N SI3 Cs16 4.02(4) . 4_455 N SI4 SI2 2.996(18) . 2_556 N SI4 SI3 2.924(17) . 2_556 N SI4 O8 1.655(19) . 1_555 N SI4 O10 1.674(17) . 2_556 N SI4 O11 1.655(16) . 2_556 N SI4 O12 1.668(17) . 2_556 N SI4 Cs14 3.936(26) . 1_555 N SI4 Cs14 4.273(21) . 2_456 N SI4 Cs14 4.045(22) . 4_665 N SI4 Cs15 3.966(18) . 1_556 N SI4 Cs15 3.630(19) . 2_555 N SI4 K15 3.966(18) . 1_556 N SI4 K15 3.630(19) . 2_555 N SI4 K16 3.864(22) . 4_555 N SI4 Cs16 3.864(22) . 4_555 N O5 ZR1 2.164(15) . 1_555 N O5 SI3 1.645(17) . 2_556 N O5 Cs15 3.828(31) . 1_556 N O5 K16 3.655(34) . 2_555 N O5 K16 3.08(4) . 3_555 N O5 Cs16 3.655(34) . 2_555 N O5 Cs16 3.08(4) . 3_555 N O6 ZR1 2.035(24) . 1_555 N O6 SI2 1.673(18) . 1_555 N O6 Cs14 3.41(4) . 2_455 N O6 Cs15 3.202(31) . 1_555 N O6 K15 3.202(31) . 1_555 N O7 ZR1 2.050(14) . 1_555 N O7 SI3 1.661(17) . 4_554 N O7 Cs14 3.79(6) . 2_455 N O7 Cs14 3.65(6) . 2_456 N O7 Cs15 3.769(27) . 2_555 N O7 K16 3.35(5) . 4_555 N O7 Cs16 3.84(5) . 1_655 N O7 Cs16 3.35(5) . 4_555 N O8 ZR1 2.007(23) . 1_555 N O8 SI4 1.655(19) . 1_555 N O8 Cs14 3.404(34) . 2_456 N O8 Cs15 3.954(21) . 1_556 N O8 Cs15 3.129(21) . 2_555 N O8 K15 3.129(21) . 2_555 N O8 K16 3.112(30) . 4_555 N O8 Cs16 3.112(30) . 4_555 N O9 ZR1 2.018(23) . 1_555 N O9 SI2 1.651(19) . 2_555 N O9 Cs14 3.241(33) . 2_455 N O9 Cs15 3.882(22) . 1_555 N O9 Cs15 3.437(21) . 2_555 N O9 K15 3.437(21) . 2_555 N O10 ZR1 2.048(21) . 1_555 N O10 SI4 1.674(17) . 2_456 N O10 Cs14 3.210(35) . 2_456 N O10 Cs15 2.979(23) . 1_556 N O10 K15 2.979(23) . 1_556 N O10 K16 3.511(28) . 3_555 N O10 Cs16 3.511(28) . 3_555 N O11 SI2 1.652(16) . 1_555 N O11 SI4 1.655(16) . 2_456 N O11 Cs14 3.844(22) . 1_455 N O11 Cs14 3.320(23) . 3_645 N O11 Cs15 2.963(18) . 2_455 N O11 K15 2.963(18) . 2_455 N O12 SI3 1.674(18) . 1_555 N O12 SI4 1.668(17) . 2_456 N O12 Cs14 3.374(23) . 2_456 N O12 Cs14 3.389(33) . 3_645 N O13 SI2 1.666(17) . 1_556 N O13 SI3 1.673(18) . 1_555 N O13 Cs14 3.500(24) . 2_456 N O13 Cs14 3.264(32) . 3_646 N Cs14 ZR1 4.08(4) . 2_555 N Cs14 ZR1 4.09(4) . 2_556 N Cs14 SI2 4.155(20) . 1_655 N Cs14 SI2 4.115(27) . 2_555 N Cs14 SI2 3.971(20) . 3_655 N Cs14 SI3 4.115(14) . 2_556 N Cs14 SI3 4.21(4) . 3_655 N Cs14 SI3 4.09(4) . 3_656 N Cs14 SI4 3.936(26) . 1_555 N Cs14 SI4 4.273(21) . 2_556 N Cs14 SI4 4.045(22) . 4_664 N Cs14 O6 3.41(4) . 2_555 N Cs14 O7 3.79(6) . 2_555 N Cs14 O7 3.65(6) . 2_556 N Cs14 O8 3.404(34) . 2_556 N Cs14 O9 3.241(33) . 2_555 N Cs14 O10 3.210(35) . 2_556 N Cs14 O11 3.844(22) . 1_655 N Cs14 O11 3.320(23) . 3_655 N Cs14 O12 3.374(23) . 2_556 N Cs14 O12 3.389(33) . 3_655 N Cs14 O13 3.500(24) . 2_556 N Cs14 O13 3.264(32) . 3_656 N Cs14 Cs15 5.553(33) . 1_655 N Cs14 Cs15 5.379(32) . 1_656 N Cs14 Cs15 4.043(14) . 2_555 N Cs14 Cs15 3.879(14) . 4_665 N Cs14 K15 5.379(32) . 1_656 N Cs14 K15 4.043(14) . 2_555 N Cs14 K15 3.879(14) . 4_665 N Cs14 Ow1 3.24(5) . 3_655 N Cs14 Ow3 3.879(14) . 4_665 N Cs14 K16 4.55(4) . 2_655 N Cs14 K16 3.24(5) . 3_655 N Cs14 Cs16 4.55(4) . 2_655 N Cs14 Cs16 3.24(5) . 3_655 N Cs15 ZR1 4.366(23) . 1_554 N Cs15 ZR1 4.539(23) . 1_555 N Cs15 ZR1 4.079(16) . 2_455 N Cs15 SI2 3.891(19) . 1_555 N Cs15 SI2 3.910(18) . 2_555 N Cs15 SI4 3.966(18) . 1_554 N Cs15 SI4 3.630(19) . 2_455 N Cs15 O5 3.828(31) . 1_554 N Cs15 O6 3.202(31) . 1_555 N Cs15 O7 3.769(27) . 2_455 N Cs15 O8 3.954(21) . 1_554 N Cs15 O8 3.129(21) . 2_455 N Cs15 O9 3.882(22) . 1_555 N Cs15 O9 3.437(21) . 2_455 N Cs15 O10 2.979(23) . 1_554 N Cs15 O11 2.963(18) . 2_555 N Cs15 Cs14 5.379(32) . 1_454 N Cs15 Cs14 5.553(33) . 1_455 N Cs15 Cs14 4.043(14) . 2_455 N Cs15 Cs14 3.879(14) . 4_664 N Cs15 Cs15 5.465(18) . 4_564 N Cs15 Cs15 5.465(18) . 4_565 N Cs15 K15 5.465(18) . 4_564 N Cs15 K15 5.465(18) . 4_565 N Cs15 Ow1 2.922(24) . 2_555 N Cs15 Ow1 2.731(31) . 3_554 N Cs15 K16 2.922(24) . 2_555 N Cs15 K16 2.731(31) . 3_554 N Cs15 Cs16 2.922(24) . 2_555 N Cs15 Cs16 2.731(31) . 3_554 N Cs15 Cs16 5.535(29) . 3_555 N K15 ZR1 4.366(23) . 1_554 N K15 ZR1 4.079(16) . 2_455 N K15 SI2 3.891(19) . 1_555 N K15 SI2 3.910(18) . 2_555 N K15 SI4 3.966(18) . 1_554 N K15 SI4 3.630(19) . 2_455 N K15 O6 3.202(31) . 1_555 N K15 O8 3.129(21) . 2_455 N K15 O9 3.437(21) . 2_455 N K15 O10 2.979(23) . 1_554 N K15 O11 2.963(18) . 2_555 N K15 Cs14 5.379(32) . 1_454 N K15 Cs14 4.043(14) . 2_455 N K15 Cs14 3.879(14) . 4_664 N K15 Cs15 5.465(18) . 4_564 N K15 Cs15 5.465(18) . 4_565 N K15 Ow1 2.922(24) . 2_555 N K15 Ow1 2.731(31) . 3_554 N K15 K16 2.922(24) . 2_555 N K15 K16 2.731(31) . 3_554 N K15 Cs16 2.922(24) . 2_555 N K15 Cs16 2.731(31) . 3_554 N Ow1 Cs14 3.24(5) . 3_645 N Ow1 Cs15 2.922(24) . 2_455 N Ow1 Cs15 2.731(31) . 3_544 N Ow1 K15 2.922(24) . 2_455 N Ow1 K15 2.731(31) . 3_544 N Ow1 Cs16 3.935(19) . 4_454 N Ow1 Cs16 3.935(19) . 4_455 N Ow3 Cs14 3.879(14) . 4_664 N Ow3 K16 2.922(24) . 2_555 N Ow3 K16 2.731(31) . 3_554 N Ow3 Cs16 2.922(24) . 2_555 N Ow3 Cs16 2.731(31) . 3_554 N K16 ZR1 4.30(4) . 4_554 N K16 SI3 3.94(4) . 1_554 N K16 SI3 4.02(4) . 4_454 N K16 SI4 3.864(22) . 4_554 N K16 O5 3.655(34) . 2_455 N K16 O5 3.08(4) . 3_545 N K16 O7 3.35(5) . 4_554 N K16 O8 3.112(30) . 4_554 N K16 O10 3.511(28) . 3_545 N K16 Cs14 4.55(4) . 2_355 N K16 Cs14 3.24(5) . 3_645 N K16 Cs15 2.922(24) . 2_455 N K16 Cs15 2.731(31) . 3_544 N K16 K15 2.922(24) . 2_455 N K16 K15 2.731(31) . 3_544 N K16 Ow3 2.922(24) . 2_455 N K16 Ow3 2.731(31) . 3_544 N K16 K16 3.935(19) . 4_454 N K16 K16 3.935(19) . 4_455 N K16 Cs16 3.935(19) . 4_454 N K16 Cs16 3.935(19) . 4_455 N Cs16 ZR1 4.432(31) . 3_545 N Cs16 ZR1 4.30(4) . 4_554 N Cs16 SI3 3.94(4) . 1_554 N Cs16 SI3 4.02(4) . 4_454 N Cs16 SI4 3.864(22) . 4_554 N Cs16 O5 3.655(34) . 2_455 N Cs16 O5 3.08(4) . 3_545 N Cs16 O7 3.84(5) . 1_455 N Cs16 O7 3.35(5) . 4_554 N Cs16 O8 3.112(30) . 4_554 N Cs16 O10 3.511(28) . 3_545 N Cs16 Cs14 4.55(4) . 2_355 N Cs16 Cs14 3.24(5) . 3_645 N Cs16 Cs15 2.922(24) . 2_455 N Cs16 Cs15 2.731(31) . 3_544 N Cs16 Cs15 5.535(29) . 3_545 N Cs16 K15 2.922(24) . 2_455 N Cs16 K15 2.731(31) . 3_544 N Cs16 Ow1 3.935(19) . 4_454 N Cs16 Ow1 3.935(19) . 4_455 N Cs16 Ow3 2.922(24) . 2_455 N Cs16 Ow3 2.731(31) . 3_544 N Cs16 K16 3.935(19) . 4_454 N Cs16 K16 3.935(19) . 4_455 N Cs16 Cs16 3.935(19) . 4_454 N Cs16 Cs16 3.935(19) . 4_455 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 0.0 0.0 -4498146361081856.00 . 111.0 0.0 -4240240554278912.00 . 120.0 0.0 -3996599676043264.00 . 122.0 0.0 -3766465396211712.00 . 121.0 0.0 -3549115086536704.00 . 112.0 0.0 -3343864773476352.00 . 112.0 0.0 -3150063769485312.00 . 114.0 0.0 -2967098431111168.00 . 111.0 0.0 -2794384642801664.00 . 109.0 0.0 -2631366206291968.00 . 105.0 0.0 -2477521819926528.00 . 101.0 0.0 -2332353267499008.00 . 97.0 0.0 -2195388371042304.00 . 93.0 0.0 -2066180588175360.00 . 88.0 0.0 -1944306596184064.00 . 85.0 0.0 -1829364681408512.00 . 84.0 0.0 -1720975947202560.00 . 81.0 0.0 -1618780018966528.00 . 79.0 0.0 -1522436654759936.00 . 77.0 0.0 -1431621450334208.00 . 74.0 0.0 -1346030402535424.00 . 72.0 0.0 -1265372795764736.00 . 70.0 0.0 -1189375899598848.00 . 70.0 0.0 -1117779532972032.00 . 68.0 0.0 -1050337741897728.00 . 67.0 0.0 -986819135012864.000 . 67.0 0.0 -927003662352384.000 . 66.0 0.0 -870683353546752.000 . 65.0 0.0 -817661646733312.000 . 66.0 0.0 -767752046379008.000 . 65.0 0.0 -720779197022208.000 . 65.0 0.0 -676576400244736.000 . 65.0 0.0 -634986218651648.000 . 64.0 0.0 -595860140326912.000 . 63.0 0.0 -559057739972608.000 . 63.0 0.0 -524445940711424.000 . 62.0 0.0 -491898879868928.000 . 61.0 0.0 -461298680725504.000 . 62.0 0.0 -432532701052928.000 . 61.0 0.0 -405495009509376.000 . 60.0 0.0 -380086050095104.000 . 59.0 0.0 -356211132203008.000 . 59.0 0.0 -333781168816128.000 . 58.0 0.0 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270.0 0.0 -37937962024960.0000 . 282.0 0.0 -35334196822016.0000 . 295.0 0.0 -32902358237184.0000 . 307.0 0.0 -30631534788608.0000 . 317.0 0.0 -28511460917248.0000 . 327.0 0.0 -26532540055552.0000 . 340.0 0.0 -24685729284096.0000 . 351.0 0.0 -22962558205952.0000 . 365.0 0.0 -21355063934976.0000 . 374.0 0.0 -19855799484416.0000 . 385.0 0.0 -18457743589376.0000 . 398.0 0.0 -17154351038464.0000 . 415.0 0.0 -15939458301952.0000 . 429.0 0.0 -14807299260416.0000 . 441.0 0.0 -13752448581632.0000 . 456.0 0.0 -12769839546368.0000 . 470.0 0.0 -11854720008192.0000 . 485.0 0.0 -11002641907712.0000 . 501.0 0.0 -10209435058176.0000 . 516.0 0.0 -9471191416832.00000 . 533.0 0.0 -8784251977728.00000 . 546.0 0.0 -8145193140224.00000 . 558.0 0.0 -7550814650368.00000 . 575.0 0.0 -6998110240768.00000 . 590.0 0.0 -6484285456384.00000 . 602.0 0.0 -6006705225728.00000 . 615.0 0.0 -5562921123840.00000 . 623.0 0.0 -5150635720704.00000 . 633.0 0.0 -4767702581248.00000 . 644.0 0.0 -4412115255296.00000 . 657.0 0.0 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547.10089 570.0 0.001754 538.14038 552.33722 583.0 0.001715 539.49805 561.64893 601.0 0.001664 540.95795 576.36584 627.0 0.001595 542.50995 597.48096 656.0 0.001524 544.14093 624.44592 685.0 0.001460 545.83765 654.03906 708.0 0.001412 547.58600 680.51691 719.0 0.001391 549.36945 696.14685 716.0 0.001397 551.17126 695.84833 700.0 0.001429 552.97424 681.51068 673.0 0.001486 554.75970 657.65399 641.0 0.001560 556.51013 631.36249 611.0 0.001637 558.20563 608.16803 587.0 0.001704 559.82758 591.03363 570.0 0.001754 561.35681 580.19330 558.0 0.001792 562.77594 574.37842 552.0 0.001812 564.06616 571.98364 549.0 0.001821 565.21118 571.76691 550.0 0.001818 566.19482 573.04645 553.0 0.001808 567.00311 575.60724 559.0 0.001789 567.62280 579.47198 567.0 0.001764 568.04333 584.49170 579.0 0.001727 568.25574 590.66351 590.0 0.001695 568.25378 597.15240 600.0 0.001667 568.03265 602.80945 606.0 0.001650 567.59174 606.28101 609.0 0.001642 566.93164 606.74567 607.0 0.001647 566.05701 604.10895 605.0 0.001653 564.97461 602.43933 605.0 0.001653 563.69489 604.06018 612.0 0.001634 562.23065 611.50616 625.0 0.001600 560.59717 625.30493 642.0 0.001558 558.81360 642.97736 661.0 0.001513 556.90063 659.35284 676.0 0.001479 554.88159 668.60529 681.0 0.001468 552.78186 666.97919 675.0 0.001481 550.62842 654.40613 655.0 0.001527 548.44952 634.26984 628.0 0.001592 546.27380 611.52417 602.0 0.001661 544.13110 590.44562 579.0 0.001727 542.05048 573.45428 562.0 0.001779 540.06049 561.06647 551.0 0.001815 538.18799 552.58154 543.0 0.001842 536.45898 546.92261 538.0 0.001859 534.89520 543.29822 536.0 0.001866 533.51697 540.29089 535.0 0.001869 532.34045 538.21088 534.0 0.001873 531.37714 536.41895 533.0 0.001876 530.63464 534.82880 531.0 0.001883 530.11487 533.47229 530.0 0.001887 529.81494 532.64899 529.0 0.001890 529.72620 532.01886 528.0 0.001894 529.83405 531.83655 529.0 0.001890 530.11853 532.20502 530.0 0.001887 530.55389 533.29492 532.0 0.001880 531.10962 535.61285 537.0 0.001862 531.74994 539.82013 544.0 0.001838 532.43530 547.04443 555.0 0.001802 533.12256 558.39056 571.0 0.001751 533.76605 574.64203 593.0 0.001686 534.31860 595.27997 617.0 0.001621 534.73352 616.64545 638.0 0.001567 534.96442 635.17371 652.0 0.001534 534.96753 646.16565 657.0 0.001522 534.70288 646.39496 649.0 0.001541 534.13525 635.80243 630.0 0.001587 533.23645 617.72083 607.0 0.001647 531.98486 596.60181 583.0 0.001715 530.36816 576.56348 561.0 0.001783 528.38220 560.48578 545.0 0.001835 526.03223 549.27539 535.0 0.001869 523.33337 543.25580 532.0 0.001880 520.30872 542.38654 536.0 0.001866 516.98846 546.91699 548.0 0.001825 513.40863 557.36774 568.0 0.001761 509.60999 574.08014 596.0 0.001678 505.63287 595.94556 625.0 0.001600 501.51468 620.25677 651.0 0.001536 497.28867 642.17334 666.0 0.001502 492.97845 655.76550 666.0 0.001502 488.59653 656.41022 650.0 0.001538 484.14001 643.84363 625.0 0.001600 479.59448 622.50592 599.0 0.001669 474.93408 598.22131 574.0 0.001742 470.12793 576.56610 555.0 0.001802 465.15451 559.01672 539.0 0.001855 460.01813 544.97510 528.0 0.001894 454.78156 532.34167 517.0 0.001934 449.60733 519.43726 508.0 0.001969 444.81784 505.98373 499.0 0.002004 440.97427 493.30740 491.0 0.002037 438.98682 483.94034 485.0 0.002062 440.25278 480.93170 483.0 0.002070 446.83826 487.16211 484.0 . . . 489.0 . . . 493.0 . . . 495.0 . . . 493.0 . . . 486.0 . . . 478.0 . . . 469.0 . . . 462.0 . . . 434.0 . . . 394.0 . . . 368.0 . . . 349.0 . . . 334.0 . . . 321.0 . . . 309.0 . . . 289.0 . . . 254.0 . . . 207.0 . . . 141.0 . . . 49.0 . . . 4.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . 0.0 . . . loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_wavelength_id _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 1 1 0 1 o 7887.422 7966.151 90.00 8.38897 44.23 1 1 0 2 o 7887.422 7966.151 90.00 8.38897 44.23 0 2 0 2 o 8239.484 7217.505 180.00 6.79106 15.60 0 2 0 1 o 8239.484 7217.505 180.00 6.79106 15.60 0 1 1 2 o -2.534 377.872 -90.00 6.49445 0.00 0 1 1 1 o -2.534 377.872 -90.00 6.49445 0.00 1 0 1 2 o 1328.926 259.319 -90.00 6.07714 5.75 1 0 1 1 o 1328.926 259.319 -90.00 6.07714 5.75 1 2 0 1 o 7407.431 8905.153 -90.00 5.72861 18.43 1 2 0 2 o 7407.431 8905.153 -90.00 5.72861 18.43 1 1 1 1 o 663.769 332.332 -41.55 5.54718 3.51 1 1 1 2 o 663.769 332.332 -41.55 5.54718 3.51 2 0 0 1 o 43686.32 43337.16 0.00 5.33341 47.99 2 0 0 2 o 43686.32 43337.16 0.00 5.33341 47.99 0 2 1 1 o 1044.816 1363.571 0.00 5.00178 2.21 0 2 1 2 o 1044.816 1363.571 0.00 5.00178 2.21 2 1 0 1 o 1086.501 1776.608 0.00 4.96438 2.01 2 1 0 2 o 1086.501 1776.608 0.00 4.96438 2.01 1 2 1 1 o 21386.936 22482.961 98.38 4.52863 67.23 1 2 1 2 o 21386.936 22482.961 98.38 4.52863 67.23 2 0 1 1 o 484.739 69.344 -90.00 4.32566 0.71 2 0 1 2 o 484.739 69.344 -90.00 4.32566 0.71 2 2 0 1 o 66.469 46.454 0.00 4.19449 0.14 2 2 0 2 o 66.469 46.454 0.00 4.19449 0.14 1 3 0 2 o 11632.531 9389.613 -90.00 4.16753 16.23 1 3 0 1 o 11632.531 9389.613 -90.00 4.16753 16.23 2 1 1 1 o -31.577 761.193 131.59 4.12168 0.00 2 1 1 2 o -31.577 761.193 131.59 4.12168 0.00 0 3 1 1 o 1355.141 1103.374 -90.00 3.86116 1.59 0 3 1 2 o 1355.141 1103.374 -90.00 3.86116 1.59 0 0 2 1 o 74944.59 73915.66 180.00 3.69729 39.81 0 0 2 2 o 74944.59 73915.66 180.00 3.69729 39.81 2 2 1 2 o 15268.901 15174.693 -4.95 3.64840 32.29 2 2 1 1 o 15268.901 15174.693 -4.95 3.64840 32.29 1 3 1 2 o 18721.182 18997.082 86.37 3.63062 38.86 1 3 1 1 o 18721.182 18997.082 86.37 3.63062 38.86 0 1 2 1 o 0.471 266.318 90.00 3.56748 0.00 0 1 2 2 o 0.471 266.318 90.00 3.56748 0.00 1 0 2 1 o -2.407 28.373 180.00 3.49339 0.00 1 0 2 2 o -2.407 28.373 180.00 3.49339 0.00 2 3 0 1 o 843.290 787.165 0.00 3.45151 0.91 2 3 0 2 o 843.290 787.165 0.00 3.45151 0.91 3 1 0 2 o 62848.23 55990.52 90.00 3.43970 58.58 3 1 0 1 o 62848.23 55990.52 90.00 3.43970 58.58 1 1 2 2 o -8.644 193.308 -84.91 3.38327 0.00 1 1 2 1 o -8.644 193.308 -84.91 3.38327 0.00 0 4 0 1 o 1707.028 1290.713 180.00 3.39553 0.84 0 4 0 2 o 1707.028 1290.713 180.00 3.39553 0.84 0 2 2 1 o 4525.822 5772.360 180.00 3.24723 3.97 0 2 2 2 o 4525.822 5772.360 180.00 3.24723 3.97 1 4 0 1 o 2423.578 2118.699 -90.00 3.23555 2.15 1 4 0 2 o 2423.578 2118.699 -90.00 3.23555 2.15 3 0 1 2 o 9247.566 5882.677 -90.00 3.20441 7.72 3 0 1 1 o 9247.566 5882.677 -90.00 3.20441 7.72 2 3 1 2 o 338.470 346.893 110.39 3.12758 0.56 2 3 1 1 o 338.470 346.893 110.39 3.12758 0.56 3 2 0 1 o 53596.30 57858.59 -90.00 3.14998 42.20 3 2 0 2 o 53596.30 57858.59 -90.00 3.14998 42.20 3 1 1 2 o 1839.724 1812.575 -106.16 3.11879 2.89 3 1 1 1 o 1839.724 1812.575 -106.16 3.11879 2.89 1 2 2 1 o 23610.264 23207.781 79.35 3.10647 35.55 1 2 2 2 o 23610.264 23207.781 79.35 3.10647 35.55 0 4 1 2 o 133171.39 133493.72 0.00 3.08575 100.00 0 4 1 1 o 133171.39 133493.72 0.00 3.08575 100.00 2 0 2 2 o 115195.79 112715.70 -180.00 3.03857 83.79 2 0 2 1 o 115195.79 112715.70 -180.00 3.03857 83.79 2 1 2 1 o 44019.02 44240.25 -174.93 2.96527 61.33 2 1 2 2 o 44019.02 44240.25 -174.93 2.96527 61.33 1 4 1 1 o 29271.291 29381.838 -98.85 2.96421 40.37 1 4 1 2 o 29271.291 29381.838 -98.85 2.96421 40.37 3 2 1 1 o 8565.292 9616.559 86.15 2.89799 11.23 3 2 1 2 o 8565.292 9616.559 86.15 2.89799 11.23 0 3 2 2 o 1822.696 196.053 90.00 2.86369 1.17 0 3 2 1 o 1822.696 196.053 90.00 2.86369 1.17 2 4 0 1 o 258.838 13.644 0.00 2.86430 0.18 2 4 0 2 o 258.838 13.644 0.00 2.86430 0.18 3 3 0 1 o 1773.339 711.199 -90.00 2.79632 1.08 3 3 0 2 o 1773.339 711.199 -90.00 2.79632 1.08 2 2 2 1 o 851.050 808.655 -153.78 2.77359 1.09 2 2 2 2 o 851.050 808.655 -153.78 2.77359 1.09 1 3 2 2 o 5860.267 7794.074 -83.50 2.76575 7.45 1 3 2 1 o 5860.267 7794.074 -83.50 2.76575 7.45 2 4 1 2 o 27876.553 23385.986 -3.14 2.67093 31.20 2 4 1 1 o 27876.553 23385.986 -3.14 2.67093 31.20 4 0 0 1 o 85.948 45.502 180.00 2.66671 0.06 4 0 0 2 o 85.948 45.502 180.00 2.66671 0.06 1 5 0 1 o 4565.085 3777.976 90.00 2.63241 2.61 1 5 0 2 o 4565.085 3777.976 90.00 2.63241 2.61 3 3 1 1 o 29649.174 32966.348 92.85 2.61555 31.97 3 3 1 2 o 29649.174 32966.348 92.85 2.61555 31.97 4 1 0 1 o 12983.250 14240.576 0.00 2.61675 6.98 4 1 0 2 o 12983.250 14240.576 0.00 2.61675 6.98 3 0 2 1 o 378.086 129.584 180.00 2.56282 0.20 3 0 2 2 o 378.086 129.584 180.00 2.56282 0.20 0 5 1 1 o 117.952 48.524 -90.00 2.54982 0.06 0 5 1 2 o 117.952 48.524 -90.00 2.54982 0.06 2 3 2 2 o 3094.102 2828.112 -165.52 2.52300 3.10 2 3 2 1 o 3094.102 2828.112 -165.52 2.52300 3.10 3 1 2 2 o 23898.340 23728.738 -88.93 2.51838 23.99 3 1 2 1 o 23898.340 23728.738 -88.93 2.51838 23.99 0 4 2 2 o 12797.202 13088.524 0.00 2.50089 6.32 0 4 2 1 o 12797.202 13088.524 0.00 2.50089 6.32 4 0 1 1 o 427.608 461.936 90.00 2.50857 0.22 4 0 1 2 o 427.608 461.936 90.00 2.50857 0.22 4 2 0 1 o 2598.604 1858.358 0.00 2.48219 1.30 4 2 0 2 o 2598.604 1858.358 0.00 2.48219 1.30 1 5 1 2 o 793.575 582.569 90.35 2.47995 0.80 1 5 1 1 o 793.575 582.569 90.35 2.47995 0.80 4 1 1 2 o 12740.301 12346.834 177.91 2.46684 12.12 4 1 1 1 o 12740.301 12346.834 177.91 2.46684 12.12 3 4 0 2 o -5.089 0.012 89.99 2.45564 0.01 3 4 0 1 o -5.089 0.012 89.99 2.45564 0.01 1 4 2 1 o 665.212 1824.858 82.22 2.43486 0.60 1 4 2 2 o 665.212 1824.858 82.22 2.43486 0.60 0 1 3 2 o 1.459 6.626 90.00 2.42525 0.00 0 1 3 1 o 1.459 6.626 90.00 2.42525 0.00 2 5 0 1 o -14.862 81.669 0.00 2.42055 0.00 2 5 0 2 o -14.862 81.669 0.00 2.42055 0.00 1 0 3 1 o 625.399 532.671 -90.00 2.40158 0.35 1 0 3 2 o 625.399 532.671 -90.00 2.40158 0.35 3 2 2 1 o 7823.777 6465.516 90.71 2.39776 6.98 3 2 2 2 o 7823.777 6465.516 90.71 2.39776 6.98 1 1 3 2 o 2366.996 3096.206 -90.64 2.36489 2.23 1 1 3 1 o 2366.996 3096.206 -90.64 2.36489 2.23 4 2 1 1 o 1074.341 1247.454 18.29 2.35315 0.96 4 2 1 2 o 1074.341 1247.454 18.29 2.35315 0.96 3 4 1 2 o 983.319 548.549 -57.37 2.33050 0.83 3 4 1 1 o 983.319 548.549 -57.37 2.33050 0.83 0 2 3 2 o 7563.215 5486.187 -180.00 2.31697 3.29 0 2 3 1 o 7563.215 5486.187 -180.00 2.31697 3.29 2 5 1 2 o 7670.906 9054.526 6.37 2.30044 6.26 2 5 1 1 o 7670.906 9054.526 6.37 2.30044 6.26 4 3 0 1 o 12181.154 15136.392 0.00 2.29774 4.99 4 3 0 2 o 12181.154 15136.392 0.00 2.29774 4.99 2 4 2 1 o 99.971 84.933 6.43 2.26431 0.08 2 4 2 2 o 99.971 84.933 6.43 2.26431 0.08 1 2 3 1 o 9882.770 8589.833 -83.98 2.26417 7.91 1 2 3 2 o 9882.770 8589.833 -83.98 2.26417 7.91 0 6 0 1 o 27432.438 22879.891 180.00 2.26369 5.46 0 6 0 2 o 27432.438 22879.891 180.00 2.26369 5.46 2 0 3 2 o -4.877 8.289 -90.00 2.23747 0.00 2 0 3 1 o -4.877 8.289 -90.00 2.23747 0.00 3 3 2 1 o 3093.296 4188.290 96.49 2.23028 2.36 3 3 2 2 o 3093.296 4188.290 96.49 2.23028 2.36 2 1 3 1 o 2322.818 2237.345 13.77 2.20771 1.72 2 1 3 2 o 2322.818 2237.345 13.77 2.20771 1.72 1 6 0 2 o 19691.793 17859.906 -90.00 2.21437 7.52 1 6 0 1 o 19691.793 17859.906 -90.00 2.21437 7.52 4 3 1 2 o 170.945 371.102 -75.06 2.19425 0.14 4 3 1 1 o 170.945 371.102 -75.06 2.19425 0.14 0 5 2 2 o 21.772 104.881 90.00 2.18910 0.01 0 5 2 1 o 21.772 104.881 90.00 2.18910 0.01 0 3 3 2 o 96.352 101.630 90.00 2.16482 0.04 0 3 3 1 o 96.352 101.630 90.00 2.16482 0.04 4 0 2 1 o 14983.781 14510.926 -180.00 2.16283 5.62 4 0 2 2 o 14983.781 14510.926 -180.00 2.16283 5.62 0 6 1 2 o 7259.550 7194.132 -180.00 2.16453 2.65 0 6 1 1 o 7259.550 7194.132 -180.00 2.16453 2.65 3 5 0 2 o 1487.182 1424.815 -90.00 2.15857 0.57 3 5 0 1 o 1487.182 1424.815 -90.00 2.15857 0.57 1 5 2 1 o 615.171 708.440 93.64 2.14441 0.48 1 5 2 2 o 615.171 708.440 93.64 2.14441 0.48 2 2 3 1 o 5181.971 5202.081 -173.01 2.12510 3.77 2 2 3 2 o 5181.971 5202.081 -173.01 2.12510 3.77 4 1 2 1 o 17653.100 17573.430 178.41 2.13592 12.39 4 1 2 2 o 17653.100 17573.430 178.41 2.13592 12.39 1 3 3 2 o 1432.648 1420.896 -99.03 2.12157 1.06 1 3 3 1 o 1432.648 1420.896 -99.03 2.12157 1.06 1 6 1 1 o 1510.756 1489.074 -106.28 2.12130 1.20 1 6 1 2 o 1510.756 1489.074 -106.28 2.12130 1.20