#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:22:13 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1235 $ #$URL: svn://localhost/testcod/cif/1/00/00/1000023.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_1000023 loop_ _publ_author_name 'Hunger, Jens' 'Beta, Ilir A.' 'B\"ohlig, Heinz' 'Ling, Chris' 'Jobic, Herve' 'Hunger, Bernd' _publ_section_title ; Adsorption Structures of Water in NaX Studied by DRIFT Spectroscopy and Neutron Powder Diffraction ; _journal_issue 1 _journal_name_full 'The Journal of Physical Chemistry B' _journal_page_first 342 _journal_page_last 353 _journal_paper_doi 10.1021/jp054636u _journal_volume 110 _journal_year 2006 _chemical_formula_analytical Na88.1[Al88.1Si103.9O384] _chemical_formula_sum 'Al2.75 Na2.59 O12 Si3.25' _chemical_formula_weight 416.99 _chemical_name_common NaX _space_group_IT_number 203 _space_group_name_Hall '-F 2uv 2vw 3' _space_group_name_H-M_alt 'F d -3 :2' _symmetry_cell_setting cubic _symmetry_space_group_name_Hall '-F 2uv 2vw 3' _symmetry_space_group_name_H-M 'F d -3 :2' _audit_creation_date 2005-08-01T20:27 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2005-08-01T20:27 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 32 _cell_length_a 25.09153(18) _cell_length_b 25.09153 _cell_length_c 25.09153 _cell_measurement_temperature 5 _cell_volume 15797.25(11) _computing_molecular_graphics 'Diamond 3' _computing_publication_material EXPGUI _computing_structure_refinement GSAS _diffrn_radiation_probe neutron _diffrn_radiation_wavelength 2.4 _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 2005-08-01T20:27|NAX0 _pd_calc_method 'Rietveld Refinement' _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.05 _pd_meas_2theta_range_max 151.2 _pd_meas_2theta_range_min 0.05 _pd_meas_number_of_points 3024 _pd_phase_name NaX-bare _pd_proc_2theta_range_inc 0.05 _pd_proc_2theta_range_max 151.1218 _pd_proc_2theta_range_min -0.0282 _pd_proc_info_datetime 2005-08-01T20:27:12 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 20 terms. Shifted Chebyshev function of 1st kind 1: 167.632 2: 8.83633 3: 24.5585 4: -3.99310 5: 4.25484 6: -2.68332 7: -2.34897 8: -0.532852 9: -1.09146 10: -0.722003 11: 0.467596 12: 3.17434 13: -5.01670 14: -1.21803 15: -0.756571 16: -0.776754 17: -3.19565 18: 0.976796 19: -1.99997 20: -0.329662 ; _pd_proc_ls_peak_cutoff 0.00000 _pd_proc_ls_profile_function ; CW Profile function number 2 with 18 terms Profile coefficients for Simpson's rule integration of pseudovoigt function C.J. Howard (1982). J. Appl. Cryst.,15,615-620. P. Thompson, D.E. Cox & J.B. Hastings (1987). J. Appl. Cryst.,20,79-83. #1(GU) = 83.927 #2(GV) = -173.674 #3(GW) = 166.284 #4(LX) = 4.672 #5(LY) = 18.643 #6(trns) = 0.000 #7(asym) = 7.8876 #8(shft) = 0.0000 #9(GP) = 0.000 #10(stec)= 0.00 #11(ptec)= 0.00 #12(sfec)= 0.00 #13(L11) = 0.000 #14(L22) = 0.000 #15(L33) = 0.000 #16(L12) = 0.000 #17(L13) = 0.000 #18(L23) = 0.000 Peak tails are ignored where the intensity is below 0.0000 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0306 _pd_proc_ls_prof_wR_expected 0.0211 _pd_proc_ls_prof_wR_factor 0.0399 _pd_proc_number_of_points 3024 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.91 _refine_ls_matrix_type full _refine_ls_number_parameters 60 _refine_ls_number_restraints 1 _refine_ls_R_Fsqd_factor 0.02326 _refine_ls_shift/su_max 0.05 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.248 _reflns_d_resolution_low 8.871 _reflns_limit_h_max 20 _reflns_limit_h_min 1 _reflns_limit_k_max 14 _reflns_limit_k_min 0 _reflns_limit_l_max 13 _reflns_limit_l_min 0 _reflns_number_total 367 _cod_data_source_file jp054636usi20050825_095558.cif _cod_data_source_block NAX0_publ _cod_original_cell_volume 15797.25(34) _cod_original_sg_symbol_Hall 'F d -3' _cod_original_sg_symbol_H-M 'F d -3' _cod_database_code 1000023 _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 +z,+x,+y 3 +y,+z,+x 4 +x+1/4,+y+1/4,-z 5 -z,+x+1/4,+y+1/4 6 +y+1/4,-z,+x+1/4 7 -z+1/4,+x+1/2,-y+3/4 8 -y+3/4,-z+1/4,+x+1/2 9 +y+1/2,-z+1/4,-x+3/4 10 -x+3/4,+y+1/2,-z+1/4 11 -z+1/4,-x+3/4,+y+1/2 12 +x+1/2,-y+3/4,-z+1/4 -1 -x,-y,-z -2 -z,-x,-y -3 -y,-z,-x -4 -x+3/4,-y+3/4,+z -5 +z,-x+3/4,-y+3/4 -6 -y+3/4,+z,-x+3/4 -7 +z+3/4,-x+1/2,+y+1/4 -8 +y+1/4,+z+3/4,-x+1/2 -9 -y+1/2,+z+3/4,+x+1/4 -10 +x+1/4,-y+1/2,+z+3/4 -11 +z+3/4,+x+1/4,-y+1/2 -12 -x+1/2,+y+1/4,+z+3/4 101 +x,+y+1/2,+z+1/2 102 +z,+x+1/2,+y+1/2 103 +y,+z+1/2,+x+1/2 104 +x+1/4,+y+3/4,-z+1/2 105 -z,+x+3/4,+y+3/4 106 +y+1/4,-z+1/2,+x+3/4 107 -z+1/4,+x,-y+1/4 108 -y+3/4,-z+3/4,+x 109 +y+1/2,-z+3/4,-x+1/4 110 -x+3/4,+y,-z+3/4 111 -z+1/4,-x+1/4,+y 112 +x+1/2,-y+1/4,-z+3/4 -101 -x,-y+1/2,-z+1/2 -102 -z,-x+1/2,-y+1/2 -103 -y,-z+1/2,-x+1/2 -104 -x+3/4,-y+1/4,+z+1/2 -105 +z,-x+1/4,-y+1/4 -106 -y+3/4,+z+1/2,-x+1/4 -107 +z+3/4,-x,+y+3/4 -108 +y+1/4,+z+1/4,-x -109 -y+1/2,+z+1/4,+x+3/4 -110 +x+1/4,-y,+z+1/4 -111 +z+3/4,+x+3/4,-y -112 -x+1/2,+y+3/4,+z+1/4 201 +x+1/2,+y,+z+1/2 202 +z+1/2,+x,+y+1/2 203 +y+1/2,+z,+x+1/2 204 +x+3/4,+y+1/4,-z+1/2 205 -z+1/2,+x+1/4,+y+3/4 206 +y+3/4,-z,+x+3/4 207 -z+3/4,+x+1/2,-y+1/4 208 -y+1/4,-z+1/4,+x 209 +y,-z+1/4,-x+1/4 210 -x+1/4,+y+1/2,-z+3/4 211 -z+3/4,-x+3/4,+y 212 +x,-y+3/4,-z+3/4 -201 -x+1/2,-y,-z+1/2 -202 -z+1/2,-x,-y+1/2 -203 -y+1/2,-z,-x+1/2 -204 -x+1/4,-y+3/4,+z+1/2 -205 +z+1/2,-x+3/4,-y+1/4 -206 -y+1/4,+z,-x+1/4 -207 +z+1/4,-x+1/2,+y+3/4 -208 +y+3/4,+z+3/4,-x -209 -y,+z+3/4,+x+3/4 -210 +x+3/4,-y+1/2,+z+1/4 -211 +z+1/4,+x+1/4,-y -212 -x,+y+1/4,+z+1/4 301 +x+1/2,+y+1/2,+z 302 +z+1/2,+x+1/2,+y 303 +y+1/2,+z+1/2,+x 304 +x+3/4,+y+3/4,-z 305 -z+1/2,+x+3/4,+y+1/4 306 +y+3/4,-z+1/2,+x+1/4 307 -z+3/4,+x,-y+3/4 308 -y+1/4,-z+3/4,+x+1/2 309 +y,-z+3/4,-x+3/4 310 -x+1/4,+y,-z+1/4 311 -z+3/4,-x+1/4,+y+1/2 312 +x,-y+1/4,-z+1/4 -301 -x+1/2,-y+1/2,-z -302 -z+1/2,-x+1/2,-y -303 -y+1/2,-z+1/2,-x -304 -x+1/4,-y+1/4,+z -305 +z+1/2,-x+1/4,-y+3/4 -306 -y+1/4,+z+1/2,-x+3/4 -307 +z+1/4,-x,+y+1/4 -308 +y+3/4,+z+1/4,-x+1/2 -309 -y,+z+1/4,+x+1/4 -310 +x+3/4,-y,+z+3/4 -311 +z+1/4,+x+3/4,-y+1/2 -312 -x,+y+3/4,+z+3/4 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 Si Si1 0.12777(26) -0.05302(29) 0.03660(30) 1.0 Uiso 0.0056(6) 96 Si Si2 -0.05538(34) 0.12249(33) 0.03435(34) 0.0826 Uiso 0.0056(6) 96 Al Al1 -0.05538(34) 0.12249(33) 0.03435(34) 0.9174 Uiso 0.0056(6) 96 O O1 0.10911(20) -0.10429(20) 0.0010(4) 1.0 Uiso 0.03130(33) 96 O O2 0.17593(24) 0.17620(24) -0.03433(13) 1.0 Uiso 0.03130(33) 96 O O3 -0.00281(22) -0.00035(21) 0.14168(11) 1.0 Uiso 0.03130(33) 96 O O4 0.17707(24) 0.17768(25) 0.31922(13) 1.0 Uiso 0.03130(33) 96 Na SI 0.0 0.0 0.0 0.066(17) Uiso 0.0334(18) 16 Na SI' 0.04840(19) 0.04840(19) 0.04840(19) 0.978(14) Uiso 0.0334(18) 32 Na SII 0.23189(20) 0.23189(20) 0.23189(20) 1.0 Uiso 0.0334(18) 32 Na SJ 0.2087(32) 0.052(4) -0.1339(27) 0.081(7) Uiso 0.0334(18) 96 Na SIII 0.375 0.375 0.1422(12) 0.223(10) Uiso 0.0334(18) 48 loop_ _atom_type_symbol _atom_type_number_in_cell _atom_type_scat_length_neutron _atom_type_scat_source Si 103.93 0.4149 International_Tables_Vol_C Al 88.07 0.3449 International_Tables_Vol_C O 384.0 0.5803 International_Tables_Vol_C Na 82.858 0.3630 International_Tables_Vol_C 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 O1 Si1 O2 106.8(5) 1_555 . -206_444 N O1 Si1 O3 111.4(6) 1_555 . 2_555 N O1 Si1 O4 109.6(5) 1_555 . 209_343 N O1 Si1 SII 126.4(5) 1_555 . -105_566 N O1 Si1 SJ 67.4(21) 1_555 . -206_556 N O1 Si1 SIII 79.6(6) 1_555 . 206_454 N O2 Si1 O3 105.9(4) -206_444 . 2_555 N O2 Si1 O4 112.0(5) -206_444 . 209_343 N O2 Si1 SII 124.9(4) -206_566 . -105_566 N O2 Si1 SJ 134.3(15) -206_556 . -206_556 N O2 Si1 SIII 77.9(4) -206_556 . 206_454 N O3 Si1 O4 111.0(4) 2_555 . 209_343 N O3 Si1 SII 45.53(21) 2_555 . -105_566 N O3 Si1 SJ 118.6(15) 2_555 . -206_556 N O3 Si1 SIII 166.0(4) 2_555 . 206_454 N O4 Si1 SII 65.50(25) 209_465 . -105_566 N O4 Si1 SJ 43.3(21) 209_455 . -206_556 N O4 Si1 SIII 55.70(27) 209_455 . 206_454 N SII Si1 SJ 84.0(18) -105_556 . -206_556 N SII Si1 SIII 121.10(25) -105_556 . 206_454 N SJ Si1 SIII 56.4(14) -206_556 . 206_454 N O1 Si2 O2 111.9(5) -1_555 . -105_444 N O1 Si2 O3 115.6(6) -1_555 . 3_555 N O1 Si2 O4 110.5(5) -1_555 . 107_433 N O1 Si2 SI' 123.4(4) -1_555 . 1_555 N O1 Si2 SJ 75.2(17) -1_555 . 2_555 N O1 Si2 SIII 80.3(6) -1_555 . 105_544 N O2 Si2 O3 105.8(5) -105_444 . 3_555 N O2 Si2 O4 108.7(5) -105_444 . 107_433 N O2 Si2 SI' 41.56(25) -105_444 . 1_555 N O2 Si2 SJ 131.1(16) -105_556 . 2_555 N O2 Si2 SIII 78.7(4) -105_556 . 105_544 N O3 Si2 O4 103.9(5) 3_555 . 107_433 N O3 Si2 SI' 64.86(29) 3_555 . 1_555 N O3 Si2 SJ 114.2(13) 3_555 . 2_555 N O3 Si2 SIII 159.0(5) 3_555 . 105_544 N O4 Si2 SI' 124.6(4) 107_433 . 1_555 N O4 Si2 SJ 36.1(18) 107_545 . 2_555 N O4 Si2 SIII 55.90(29) 107_545 . 105_544 N SI' Si2 SJ 160.6(18) 1_555 . 2_555 N SI' Si2 SIII 119.5(4) 1_555 . 105_544 N SJ Si2 SIII 54.2(14) 2_555 . 105_544 N O1 Al1 O2 111.9(5) -1_555 . -105_444 N O1 Al1 O3 115.6(6) -1_555 . 3_555 N O1 Al1 O4 110.5(5) -1_555 . 107_433 N O1 Al1 SI' 123.4(4) -1_555 . 1_555 N O1 Al1 SII 127.2(5) -1_555 . 107_555 N O1 Al1 SJ 75.2(17) -1_555 . 2_555 N O1 Al1 SIII 80.3(6) -1_555 . 105_544 N O2 Al1 O3 105.8(5) -105_444 . 3_555 N O2 Al1 O4 108.7(5) -105_444 . 107_433 N O2 Al1 SI' 41.56(25) -105_444 . 1_555 N O2 Al1 SII 120.1(4) -105_566 . 107_555 N O2 Al1 SJ 131.1(16) -105_556 . 2_555 N O2 Al1 SIII 78.7(4) -105_556 . 105_544 N O3 Al1 O4 103.9(5) 3_555 . 107_433 N O3 Al1 SI' 64.86(29) 3_555 . 1_555 N O3 Al1 SII 42.69(22) 3_555 . 107_555 N O3 Al1 SJ 114.2(13) 3_555 . 2_555 N O3 Al1 SIII 159.0(5) 3_555 . 105_544 N O4 Al1 SI' 124.6(4) 107_433 . 1_555 N O4 Al1 SII 61.25(28) 107_555 . 107_555 N O4 Al1 SJ 36.1(18) 107_545 . 2_555 N O4 Al1 SIII 55.90(29) 107_545 . 105_544 N SI' Al1 SII 92.38(28) 1_555 . 107_555 N SI' Al1 SJ 160.6(18) 1_555 . 2_555 N SI' Al1 SIII 119.5(4) 1_555 . 105_544 N SII Al1 SJ 77.6(13) 107_545 . 2_555 N SII Al1 SIII 117.04(29) 107_545 . 105_544 N SJ Al1 SIII 54.2(14) 2_555 . 105_544 N Si1 O1 Si2 137.18(34) 1_555 . -1_555 N Si1 O1 Al1 137.18(34) 1_555 . -1_555 N Si1 O1 SJ 76.3(17) 1_555 . -206_556 N Si2 O1 Al1 0.0 -1_555 . -1_555 N Si2 O1 SJ 146.1(17) -1_555 . -206_556 N Al1 O1 SJ 146.1(17) -1_555 . -206_556 N Si1 O2 Si2 142.04(33) 111_533 . 208_443 N Si1 O2 Al1 142.04(33) 111_443 . 208_353 N Si1 O2 SI 104.2(4) 111_433 . 4_555 N Si1 O2 SI' 108.5(4) 111_433 . 111_433 N Si2 O2 Al1 0.0 208_353 . 208_353 N Si2 O2 SI 101.1(4) 208_343 . 4_555 N Si2 O2 SI' 109.5(4) 208_343 . 111_433 N Al1 O2 SI 101.1(4) 208_343 . 4_555 N Al1 O2 SI' 109.5(4) 208_343 . 111_433 N SI O2 SI' 48.25(22) 4_555 . 111_433 N Si1 O3 Si2 145.37(33) 3_555 . 2_555 N Si1 O3 Al1 145.37(33) 3_555 . 2_555 N Si1 O3 SII 105.61(34) 3_555 . 111_555 N Si2 O3 Al1 0.0 2_555 . 2_555 N Si2 O3 SII 107.6(4) 2_555 . 111_555 N Al1 O3 SII 107.6(4) 2_555 . 111_555 N Si1 O4 Si2 147.5(4) 107_533 . 209_443 N Si1 O4 Al1 147.5(4) 107_443 . 209_353 N Si1 O4 SJ 100.8(33) 107_545 . 312_446 N Si1 O4 SIII 93.8(4) 107_545 . -112_656 N Si2 O4 Al1 0.0 209_353 . 209_353 N Si2 O4 SJ 111.6(33) 209_455 . 312_446 N Si2 O4 SIII 91.4(4) 209_455 . -112_656 N Al1 O4 SJ 111.6(33) 209_455 . 312_446 N Al1 O4 SIII 91.4(4) 209_455 . -112_656 N SJ O4 SIII 74.9(20) 312_446 . -112_656 N O2 SI O2 179.9802 105_544 . -105_444 N O2 SI O2 88.15(10) 105_544 . 206_454 N O2 SI O2 91.85(10) 105_544 . -206_444 N O2 SI O2 88.15(10) 105_544 . 304_445 N O2 SI O2 91.85(10) 105_544 . -304_444 N O2 SI SI' 126.56(7) 105_544 . 1_555 N O2 SI SI' 53.44(7) 105_544 . -1_555 N O2 SI O2 91.85(10) -105_444 . 206_454 N O2 SI O2 88.15(10) -105_444 . -206_444 N O2 SI O2 91.85(10) -105_444 . 304_445 N O2 SI O2 88.15(10) -105_444 . -304_444 N O2 SI SI' 53.44(7) -105_444 . 1_555 N O2 SI SI' 126.56(7) -105_444 . -1_555 N O2 SI O2 179.9802 206_454 . -206_444 N O2 SI O2 88.15(10) 206_454 . 304_445 N O2 SI O2 91.85(10) 206_454 . -304_444 N O2 SI SI' 126.56(7) 206_454 . 1_555 N O2 SI SI' 53.44(7) 206_454 . -1_555 N O2 SI O2 91.85(10) -206_444 . 304_445 N O2 SI O2 88.15(10) -206_444 . -304_444 N O2 SI SI' 53.44(7) -206_444 . 1_555 N O2 SI SI' 126.56(7) -206_444 . -1_555 N O2 SI O2 179.9802 304_445 . -304_444 N O2 SI SI' 126.56(7) 304_445 . 1_555 N O2 SI SI' 53.44(7) 304_445 . -1_555 N O2 SI SI' 53.44(7) -304_444 . 1_555 N O2 SI SI' 126.56(7) -304_444 . -1_555 N SI' SI SI' 180.0 1_555 . -1_555 N Si2 SI' Si2 116.22(13) 1_555 . 2_555 N Si2 SI' Si2 116.22(13) 1_555 . 3_555 N Si2 SI' Al1 0.0 1_555 . 1_555 N Si2 SI' Al1 116.22(13) 1_555 . 2_555 N Si2 SI' Al1 116.22(13) 1_555 . 3_555 N Si2 SI' O2 28.97(24) 1_555 . -105_444 N Si2 SI' O2 142.01(28) 1_555 . -206_444 N Si2 SI' O2 88.12(26) 1_555 . -304_444 N Si2 SI' SI 78.64(20) 1_555 . 1_555 N Si2 SI' Si2 116.22(13) 2_555 . 3_555 N Si2 SI' Al1 116.22(13) 2_555 . 1_555 N Si2 SI' Al1 0.0 2_555 . 2_555 N Si2 SI' Al1 116.22(13) 2_555 . 3_555 N Si2 SI' O2 88.12(26) 2_555 . -105_444 N Si2 SI' O2 28.97(24) 2_555 . -206_444 N Si2 SI' O2 142.01(28) 2_555 . -304_444 N Si2 SI' SI 78.64(20) 2_555 . 1_555 N Si2 SI' Al1 116.22(13) 3_555 . 1_555 N Si2 SI' Al1 116.22(13) 3_555 . 2_555 N Si2 SI' Al1 0.0 3_555 . 3_555 N Si2 SI' O2 142.01(28) 3_555 . -105_444 N Si2 SI' O2 88.12(26) 3_555 . -206_444 N Si2 SI' O2 28.97(24) 3_555 . -304_444 N Si2 SI' SI 78.64(20) 3_555 . 1_555 N Al1 SI' Al1 116.22(13) 1_555 . 2_555 N Al1 SI' Al1 116.22(13) 1_555 . 3_555 N Al1 SI' O2 28.97(24) 1_555 . -105_444 N Al1 SI' O2 142.01(28) 1_555 . -206_444 N Al1 SI' O2 88.12(26) 1_555 . -304_444 N Al1 SI' SI 78.64(20) 1_555 . 1_555 N Al1 SI' Al1 116.22(13) 2_555 . 3_555 N Al1 SI' O2 88.12(26) 2_555 . -105_444 N Al1 SI' O2 28.97(24) 2_555 . -206_444 N Al1 SI' O2 142.01(28) 2_555 . -304_444 N Al1 SI' SI 78.64(20) 2_555 . 1_555 N Al1 SI' O2 142.01(28) 3_555 . -105_444 N Al1 SI' O2 88.12(26) 3_555 . -206_444 N Al1 SI' O2 28.97(24) 3_555 . -304_444 N Al1 SI' SI 78.64(20) 3_555 . 1_555 N O2 SI' O2 116.01(15) -105_444 . -206_444 N O2 SI' O2 116.01(15) -105_444 . -304_444 N O2 SI' SI 78.32(23) -105_444 . 1_555 N O2 SI' O2 116.01(15) -206_444 . -304_444 N O2 SI' SI 78.32(23) -206_444 . 1_555 N O2 SI' SI 78.32(23) -304_444 . 1_555 N Si1 SII Si1 114.73(15) 107_434 . 208_344 N Si1 SII Si1 114.73(15) 107_434 . 312_335 N Si1 SII Al1 153.40(33) 107_443 . 111_443 N Si1 SII Al1 58.10(13) 107_443 . 209_353 N Si1 SII Al1 58.37(14) 107_443 . 310_344 N Si1 SII O3 86.17(23) 107_433 . -105_444 N Si1 SII O3 28.86(22) 107_433 . -206_444 N Si1 SII O3 136.47(32) 107_433 . -304_444 N Si1 SII Si1 114.73(15) 208_344 . 312_335 N Si1 SII Al1 58.37(14) 208_353 . 111_443 N Si1 SII Al1 153.40(33) 208_353 . 209_353 N Si1 SII Al1 58.10(13) 208_353 . 310_344 N Si1 SII O3 136.47(32) 208_343 . -105_444 N Si1 SII O3 86.17(23) 208_343 . -206_444 N Si1 SII O3 28.86(22) 208_343 . -304_444 N Si1 SII Al1 58.10(13) 312_344 . 111_443 N Si1 SII Al1 58.37(14) 312_344 . 209_353 N Si1 SII Al1 153.40(33) 312_344 . 310_344 N Si1 SII O3 28.86(22) 312_334 . -105_444 N Si1 SII O3 136.47(32) 312_334 . -206_444 N Si1 SII O3 86.17(23) 312_334 . -304_444 N Al1 SII Al1 115.01(16) 111_443 . 209_353 N Al1 SII Al1 115.01(16) 111_443 . 310_344 N Al1 SII O3 85.50(23) 111_433 . -105_444 N Al1 SII O3 137.32(34) 111_433 . -206_444 N Al1 SII O3 29.75(22) 111_433 . -304_444 N Al1 SII Al1 115.01(16) 209_353 . 310_344 N Al1 SII O3 29.75(22) 209_343 . -105_444 N Al1 SII O3 85.50(23) 209_343 . -206_444 N Al1 SII O3 137.32(34) 209_343 . -304_444 N Al1 SII O3 137.32(34) 310_334 . -105_444 N Al1 SII O3 29.75(22) 310_334 . -206_444 N Al1 SII O3 85.50(23) 310_334 . -304_444 N O3 SII O3 110.80(22) -105_444 . -206_444 N O3 SII O3 110.80(22) -105_444 . -304_444 N O3 SII O3 110.80(22) -206_444 . -304_444 N Si1 SJ Si2 68.2(15) 111_533 . 3_555 N Si1 SJ Al1 68.2(15) 111_443 . 3_555 N Si1 SJ O1 36.3(12) 111_433 . 111_433 N Si1 SJ O4 35.9(16) 111_433 . 312_334 N Si1 SJ SJ 146(4) 111_545 . 105_544 N Si1 SJ SJ 95(4) 111_545 . -108_656 N Si1 SJ SIII 70.4(18) 111_545 . 304_445 N Si2 SJ Al1 0.0 3_555 . 3_555 N Si2 SJ O1 103.3(22) 3_555 . 111_433 N Si2 SJ O4 32.4(18) 3_555 . 312_334 N Si2 SJ SJ 78.7(34) 3_555 . 105_544 N Si2 SJ SJ 161(4) 3_555 . -108_656 N Si2 SJ SIII 66.4(16) 3_555 . 304_445 N Al1 SJ O1 103.3(22) 3_555 . 111_433 N Al1 SJ O4 32.4(18) 3_555 . 312_334 N Al1 SJ SJ 78.7(34) 3_555 . 105_544 N Al1 SJ SJ 161(4) 3_555 . -108_656 N Al1 SJ SIII 66.4(16) 3_555 . 304_445 N O1 SJ O4 71.6(28) 111_433 . 312_334 N O1 SJ SJ 163(4) 111_545 . 105_544 N O1 SJ SJ 58.5(31) 111_545 . -108_656 N O1 SJ SIII 75.7(22) 111_545 . 304_445 N O4 SJ SJ 111(5) 312_446 . 105_544 N O4 SJ SJ 130(5) 312_446 . -108_656 N O4 SJ SIII 64.7(19) 312_446 . 304_445 N SJ SJ SJ 116.5(14) 105_544 . -108_656 N SJ SJ SIII 90.1(33) 105_544 . 304_445 N SJ SJ SIII 100(4) -108_656 . 304_445 N Si1 SIII Si1 89.5(8) -211_455 . -302_445 N Si1 SIII Si2 60.7(5) -211_554 . -108_644 N Si1 SIII Si2 60.5(5) -211_554 . -303_544 N Si1 SIII Al1 60.7(5) -211_464 . -108_554 N Si1 SIII Al1 60.5(5) -211_464 . -303_454 N Si1 SIII O4 82.2(8) -211_454 . -10_554 N Si1 SIII O4 30.46(32) -211_454 . -12_554 N Si1 SIII SJ 119.4(20) -211_566 . 4_555 N Si1 SIII SJ 53.3(17) -211_566 . -301_556 N Si1 SIII Si2 60.5(5) -302_544 . -108_644 N Si1 SIII Si2 60.7(5) -302_544 . -303_544 N Si1 SIII Al1 60.5(5) -302_454 . -108_554 N Si1 SIII Al1 60.7(5) -302_454 . -303_454 N Si1 SIII O4 30.46(32) -302_444 . -10_554 N Si1 SIII O4 82.2(8) -302_444 . -12_554 N Si1 SIII SJ 53.3(17) -302_556 . 4_555 N Si1 SIII SJ 119.4(20) -302_556 . -301_556 N Si2 SIII Si2 92.5(8) -108_644 . -303_544 N Si2 SIII Al1 0.0 -108_554 . -108_554 N Si2 SIII Al1 92.5(8) -108_554 . -303_454 N Si2 SIII O4 32.73(33) -108_544 . -10_554 N Si2 SIII O4 82.5(8) -108_544 . -12_554 N Si2 SIII SJ 59.4(19) -108_656 . 4_555 N Si2 SIII SJ 113.9(19) -108_656 . -301_556 N Si2 SIII Al1 92.5(8) -303_454 . -108_554 N Si2 SIII Al1 0.0 -303_454 . -303_454 N Si2 SIII O4 82.5(8) -303_444 . -10_554 N Si2 SIII O4 32.73(33) -303_444 . -12_554 N Si2 SIII SJ 113.9(19) -303_556 . 4_555 N Si2 SIII SJ 59.4(19) -303_556 . -301_556 N Al1 SIII Al1 92.5(8) -108_554 . -303_454 N Al1 SIII O4 32.73(33) -108_544 . -10_554 N Al1 SIII O4 82.5(8) -108_544 . -12_554 N Al1 SIII SJ 59.4(19) -108_656 . 4_555 N Al1 SIII SJ 113.9(19) -108_656 . -301_556 N Al1 SIII O4 82.5(8) -303_444 . -10_554 N Al1 SIII O4 32.73(33) -303_444 . -12_554 N Al1 SIII SJ 113.9(19) -303_556 . 4_555 N Al1 SIII SJ 59.4(19) -303_556 . -301_556 N O4 SIII O4 90.8(10) -10_554 . -12_554 N O4 SIII SJ 40.5(14) -10_666 . 4_555 N O4 SIII SJ 130.9(19) -10_666 . -301_556 N O4 SIII SJ 130.9(19) -12_666 . 4_555 N O4 SIII SJ 40.5(14) -12_666 . -301_556 N SJ SIII SJ 171.4(32) 4_555 . -301_556 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 Si1 Al1 3.083(7) . -1_555 N Si1 O1 1.635(10) . 1_555 N Si1 O2 1.714(10) . -206_454 N Si1 O3 1.603(10) . 2_555 N Si1 O4 1.601(10) . 209_555 N Si1 SI 3.591(7) . 1_555 N Si1 SI' 3.245(7) . 1_555 N Si1 SII 3.198(7) . -105_544 N Si1 SJ 2.68(8) . -206_454 N Si1 SIII 3.152(23) . 206_454 N Si2 O1 1.677(11) . -1_555 N Si2 O2 1.654(12) . -105_544 N Si2 O3 1.734(11) . 3_555 N Si2 O4 1.704(11) . 107_555 N Si2 SI 3.481(8) . 1_555 N Si2 SI' 3.219(9) . 1_555 N Si2 SII 3.332(8) . 107_555 N Si2 SJ 2.96(8) . 2_555 N Si2 SIII 3.151(23) . 105_544 N Al1 Si1 3.083(7) . -1_555 N Al1 O1 1.677(11) . -1_555 N Al1 O2 1.654(12) . -105_544 N Al1 O3 1.734(11) . 3_555 N Al1 O4 1.704(11) . 107_555 N Al1 SI 3.481(8) . 1_555 N Al1 SI' 3.219(9) . 1_555 N Al1 SII 3.332(8) . 107_555 N Al1 SJ 2.96(8) . 2_555 N Al1 SIII 3.151(23) . 105_544 N O1 Si1 1.635(10) . 1_555 N O1 Si2 1.677(11) . -1_555 N O1 Al1 1.677(11) . -1_555 N O1 SJ 3.01(10) . -2_555 N O1 SJ 2.55(10) . -206_454 N O2 Si1 1.714(10) . 111_555 N O2 Si2 1.654(12) . 208_555 N O2 Al1 1.654(12) . 208_555 N O2 SI 2.761(4) . 4_555 N O2 SI' 2.265(4) . 111_555 N O3 Si1 1.603(10) . 3_555 N O3 Si2 1.734(11) . 2_555 N O3 Al1 1.734(11) . 2_555 N O3 SI' 2.9370(33) . 1_555 N O3 SII 2.369(4) . 111_555 N O4 Si1 1.601(10) . 107_555 N O4 Si2 1.704(11) . 209_555 N O4 Al1 1.704(11) . 209_555 N O4 SII 2.923(4) . 1_555 N O4 SJ 1.87(6) . 312_555 N O4 SIII 2.610(22) . -112_534 N SI Si1 3.591(7) . 1_555 N SI Si1 3.591(7) . 2_555 N SI Si1 3.591(7) . 3_555 N SI Si1 3.591(7) . -1_555 N SI Si1 3.591(7) . -2_555 N SI Si1 3.591(7) . -3_555 N SI Si2 3.481(8) . 1_555 N SI Si2 3.481(8) . 2_555 N SI Si2 3.481(8) . 3_555 N SI Si2 3.481(8) . -1_555 N SI Si2 3.481(8) . -2_555 N SI Si2 3.481(8) . -3_555 N SI Al1 3.481(8) . 1_555 N SI Al1 3.481(8) . 2_555 N SI Al1 3.481(8) . 3_555 N SI Al1 3.481(8) . -1_555 N SI Al1 3.481(8) . -2_555 N SI Al1 3.481(8) . -3_555 N SI O2 2.761(4) . 105_544 N SI O2 2.761(4) . -105_544 N SI O2 2.761(4) . 206_454 N SI O2 2.761(4) . -206_454 N SI O2 2.761(4) . 304_445 N SI O2 2.761(4) . -304_445 N SI SI' 2.104(8) . 1_555 N SI SI' 2.104(8) . -1_555 N SI' Si1 3.245(7) . 1_555 N SI' Si1 3.245(7) . 2_555 N SI' Si1 3.245(7) . 3_555 N SI' Si2 3.219(9) . 1_555 N SI' Si2 3.219(9) . 2_555 N SI' Si2 3.219(9) . 3_555 N SI' Al1 3.219(9) . 1_555 N SI' Al1 3.219(9) . 2_555 N SI' Al1 3.219(9) . 3_555 N SI' O2 2.265(4) . -105_544 N SI' O2 2.265(4) . -206_454 N SI' O2 2.265(4) . -304_445 N SI' O3 2.9370(33) . 1_555 N SI' O3 2.9370(33) . 2_555 N SI' O3 2.9370(33) . 3_555 N SI' SI 2.104(8) . 1_555 N SII Si1 3.198(7) . 107_555 N SII Si1 3.198(7) . 208_555 N SII Si1 3.198(7) . 312_555 N SII Si2 3.332(8) . 111_555 N SII Si2 3.332(8) . 209_555 N SII Si2 3.332(8) . 310_555 N SII Al1 3.332(8) . 111_555 N SII Al1 3.332(8) . 209_555 N SII Al1 3.332(8) . 310_555 N SII O3 2.369(4) . -105_544 N SII O3 2.369(4) . -206_454 N SII O3 2.369(4) . -304_445 N SII O4 2.923(4) . 1_555 N SII O4 2.923(4) . 2_555 N SII O4 2.923(4) . 3_555 N SII SJ 3.95(7) . 107_555 N SII SJ 3.95(7) . 208_555 N SII SJ 3.95(7) . 312_555 N SJ Si1 2.68(8) . 111_555 N SJ Si2 2.96(8) . 3_555 N SJ Al1 2.96(8) . 3_555 N SJ O1 3.01(10) . -3_555 N SJ O1 2.55(10) . 111_555 N SJ O4 1.87(6) . 312_555 N SJ SII 3.95(7) . -105_544 N SJ SJ 3.41(7) . 105_544 N SJ SJ 3.41(7) . -108_544 N SJ SIII 2.79(6) . 304_445 N SIII Si1 3.152(23) . -211_454 N SIII Si1 3.152(23) . -302_445 N SIII Si2 3.151(23) . -108_544 N SIII Si2 3.151(23) . -303_445 N SIII Al1 3.151(23) . -108_544 N SIII Al1 3.151(23) . -303_445 N SIII O4 2.610(22) . -10_554 N SIII O4 2.610(22) . -12_554 N SIII SJ 2.79(6) . 4_555 N SIII SJ 2.79(6) . -301_445 N loop_ _pd_meas_intensity_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 0.0(20) 0.0 -99830.20 . 0.0(20) 0.0 -97982.48 . 0.0(20) 0.0 -96165.48 . 0.0(20) 0.0 -94378.58 . 0.0(20) 0.0 -92621.47 . 0.0(20) 0.0 -90893.66 . 0.0(20) 0.0 -89194.70 . 0.0(20) 0.0 -87524.16 . 0.0(20) 0.0 -85881.64 . 0.0(20) 0.0 -84266.68 . 0.0(20) 0.0 -82678.89 . 0.0(20) 0.0 -81117.87 . 0.0(20) 0.0 -79583.23 . 0.0(20) 0.0 -78074.52 . 0.0(20) 0.0 -76591.40 . 0.0(20) 0.0 -75133.44 . 0.0(20) 0.0 -73700.30 . 0.0(20) 0.0 -72291.58 . 0.0(20) 0.0 -70906.89 . 0.0(20) 0.0 -69545.91 . 0.0(20) 0.0 -68208.24 . 4.0(20) 0.0 -66893.54 . 5.0(20) 0.0 -65601.47 . 10.0(20) 0.0 -64331.64 . 10.0(20) 0.0 -63083.74 . 8.0(20) 0.0 -61857.46 . 14.0(20) 0.0 -60652.38 . 15.0(20) 0.0 -59468.27 . 17.0(20) 0.0 -58304.74 . 18.0(20) 0.0 -57161.50 . 23.0(20) 0.0 -56038.23 . 21.0(20) 0.0 -54934.64 . 28.0(20) 0.0 -53850.35 . 27.0(20) 0.0 -52785.15 . 30.0(20) 0.0 -51738.69 . 29.0(20) 0.0 -50710.70 . 32.0(20) 0.0 -49700.86 . 35.0(20) 0.0 -48708.90 . 39.0(20) 0.0 -47734.54 . 38.0(20) 0.0 -46777.52 . 41.0(20) 0.0 -45837.53 . 42.0(20) 0.0 -44914.33 . 47.0(20) 0.0 -44007.63 . 47.0(20) 0.0 -43117.19 . 49.0(20) 0.0 -42242.73 . 46.0(20) 0.0 -41384.01 . 47.0(20) 0.0 -40540.77 . 48.0(20) 0.0 -39712.76 . 44.0(20) 0.0 -38899.77 . 44.0(20) 0.0 -38101.49 . 44.0(20) 0.0 -37317.75 . 44.0(20) 0.0 -36548.29 . 49.0(20) 0.0 -35792.86 . 46.0(20) 0.0 -35051.25 . 44.0(20) 0.0 -34323.25 . 47.0(20) 0.0 -33608.61 . 49.0(30) 0.0 -32907.13 . 49.0(30) 0.0 -32218.60 . 51.0(30) 0.0 -31542.79 . 53.0(30) 0.0 -30879.50 . 57.0(30) 0.0 -30228.53 . 54.0(30) 0.0 -29589.67 . 55.0(30) 0.0 -28962.73 . 60.0(30) 0.0 -28347.50 . 64.0(30) 0.0 -27743.80 . 63.0(30) 0.0 -27151.43 . 66.0(30) 0.0 -26570.20 . 71.0(30) 0.0 -25999.93 . 69.0(30) 0.0 -25440.42 . 78.0(30) 0.0 -24891.53 . 89(4) 0.0 -24353.0 . 99(4) 0.0 -23824.8 . 106(4) 0.0 -23306.6 . 118(4) 0.0 -22798.4 . 129(4) 0.0 -22299.8 . 142(5) 0.0 -21810.8 . 158(5) 0.0 -21331.3 . 169(5) 0.0 -20861.0 . 182(5) 0.0 -20399.7 . 195(5) 0.0 -19947.5 . 212(5) 0.0 -19503.9 . 223(5) 0.0 -19069.1 . 237(6) 0.0 -18642.7 . 251(6) 0.0 -18224.6 . 257(6) 0.0 -17814.7 . 257(6) 0.0 -17412.9 . 273(6) 0.0 -17019.0 . 286(6) 0.0 -16632.9 . 298(6) 0.0 -16254.4 . 301(6) 0.0 -15883.5 . 316(6) 0.0 -15519.9 . 320(6) 0.0 -15163.5 . 329(6) 0.0 -14814.3 . 338(6) 0.0 -14472.0 . 345(6) 0.0 -14136.7 . 344(6) 0.0 -13808.0 . 343(6) 0.0 -13486.1 . 358(6) 0.0 -13170.6 . 372(7) 0.0 -12861.5 . 377(7) 0.0 -12558.7 . 367(6) 0.0 -12262.1 . 375(7) 0.0 -11971.6 . 385(7) 0.0 -11686.9 . 382(7) 0.0 -11408.2 . 394(6) 0.0 -11135.2 . 380(7) 0.0 -10867.8 . 377(6) 0.0 -10605.9 . 369(6) 0.0 -10349.5 . 362(6) 0.0 -10098.5 . 374(6) 0.0 -9852.6 . 362(6) 0.0 -9611.9 . 359(6) 0.0 -9376.3 . 362(6) 0.0 -9145.6 . 358(6) 0.0 -8919.7 . 349(6) 0.0 -8698.7 . 362(6) 0.0 -8482.3 . 358(6) 0.0 -8270.6 . 353(6) 0.0 -8063.3 . 359(6) 0.0 -7860.5 . 346(6) 0.0 -7662.0 . 339(6) 0.0 -7467.8 . 350(6) 0.0 -7277.8 . 331(6) 0.0 -7091.9 . 337(6) 0.0 -6910.0 . 339(6) 0.0 -6732.1 . 333(6) 0.0 -6558.1 . 325(6) 0.0 -6387.8 . 326(6) 0.0 -6221.3 . 323(6) 0.0 -6058.5 . 319(6) 0.0 -5899.2 . 321(6) 0.0 -5743.5 . 317(6) 0.0 -5591.2 . 313(6) 0.0 -5442.3 . 311(6) 0.0 -5296.8 . 314(6) 0.0 -5154.5 . 314(6) 0.0 -5015.4 . 304(6) 0.0 -4879.4 . 293(6) 0.0 -4746.5 . 293(6) 0.0 -4616.6 . 307(6) 0.0 -4489.7 . 300(6) 0.0 -4365.7 . 303(6) 0.0 -4244.5 . 304(6) 0.0 -4126.1 . 299(6) 0.0 -4010.4 . 304(6) 0.0 -3897.4 . 295(6) 0.0 -3787.0 . 295(6) 0.0 -3679.1 . 291(6) 0.0 -3573.8 . 292(6) 0.0 -3471.0 . 297(6) 0.0 -3370.6 . 293(6) 0.0 -3272.5 . 300(6) 0.0 -3176.7 . 308(6) 0.0 -3083.3 . 312(6) 0.0 -2992.0 . 307(6) 0.0 -2902.9 . 310(6) 0.0 -2816.0 . 311(6) 0.0 -2731.1 . 328(6) 0.0 -2648.3 . 331(6) 0.0 -2567.5 . 343(6) 0.0 -2488.7 . 353(6) 0.0 -2411.8 . 363(7) 0.0 -2336.8 . 369(7) 0.0 -2263.6 . 393(7) 0.0 -2192.2 . 397(7) 0.0 -2122.6 . 412(7) 0.0 -2054.7 . 429(8) 0.0 -1988.5 . 441(8) 0.0 -1924.0 . 472(8) 0.0 -1861.0 . 525(9) 0.0 -1799.7 . 569(10) 0.0 -1739.9 . 635(10) 0.0 -1681.7 . 739(11) 0.0 -1624.9 . 868(12) 0.0 -1569.6 . 1020(14) 0.0 -1515.7 . 1217(15) 0.0 -1463.2 . 1451(16) 0.0 -1412.0 . 1739(17) 0.0 -1362.2 . 2079(18) 0.0 -1313.7 . 2478(20) 0.0 -1266.5 . 2954(21) 0.0 -1220.5 . 3512(23) 0.0 -1175.7 . 4149(25) 0.0 -1132.1 . 4941(28) 0.0 -1089.7 . 6030(30) 0.0 -1048.4 . 7390(33) 0.0 -1008.2 . 8864(37) 0.0 -969. . 10516(39) 0.0 -931. . 11856(40) 0.0 -894. . 12589(40) 0.0 -858. . 12388(38) 0.0 -823. . 11279(34) 0.0 -789.1 . 9339(29) 0.0 -756.0 . 7159(23) 0.0 -723.8 . 5092(17) 0.0 -692.6 . 3341(13) 0.0 -662.2 . 2141(10) 0.0 -632.7 . 1397(9) 0.0 -604.0 . 915(8) 0.0 -576.1 . 686(8) 0.0 -549.1 . 569(8) 0.0 -522.8 . 489(7) 0.0 -497.3 . 438(7) 0.0 -472.5 . 411(7) 0.0 -448.5 . 384(6) 0.0 -425.2 . 354(7) 0.0 -402.5 . 324(6) 0.0 -380.5 . 317(7) 0.0 -359.2 . 316(6) 0.0 -338.6 . 294(6) 0.0 -318.5 . 284(6) 0.0 -299.1 . 281(6) 0.0 -280.3 . 260(6) 0.0 -262.0 . 284(6) 0.0 -244.3 . 284(6) 0.0 -227.2 . 278(6) 0.0 -210.6 . 274(6) 0.0 -194.5 . 266(6) 0.0 -178.9 . 262(6) 0.0 -163.9 . 260(6) 0.0 -149.3 . 258(5) 0.0 -135.2 . 248(6) 0.0 -121.5 . 246(6) 0.0 -108.3 . 246(6) 0.0 -95.5 . 248(5) 0.0 -83.2 . 239(5) 0.0 -71.3 . 237(5) 0.0 -59.7 . 232(6) 0.0 -48.6 . 227(5) 0.0 -37.8 . 229(6) 0.0 -27.4 . 221(5) 0.0 -17.4 . 215(6) 0.0 -7.7 . 224(5) 0.0 1.6 . 215(5) 0.0 10.6 . 215(5) 0.0 19.3 . 211(5) 0.0 27.7 . 204(5) 0.0 35.7 . 213(6) 0.0 43.5 . 216(5) 0.0 51.0 . 211(5) 0.0 58.2 . 212(5) 0.0 65.1 . 205(5) 0.0 71.8 . 205(5) 0.0 78.2 . 204(5) 0.0 84.3 . 209(5) 0.0 90.3 . 204(5) 0.0 96.0 . 199(5) 0.0 101.4 . 201(5) 0.0 106.7 . 194(5) 0.0 111.7 . 202(5) 0.0 116.5 . 205(5) 0.0 121.1 . 201(5) 0.0 125.5 . 205(5) 0.0 129.8 . 209(5) 0.0 133.8 . 201(5) 0.0 137.7 . 196(5) 0.0 141.4 . 196(5) 0.0 145.0 . 198(5) 0.0 148.3 . 202(5) 0.0 151.5 . 209(5) 0.0 154.6 . 202(5) 0.0 157.5 . 193(4) 0.0 160.3 . 199(5) 0.0 163.0 . 197(5) 0.0 165.5 . 199(5) 0.0 167.9 . 197(5) 0.0 170.1 . 196(4) 0.0 172.3 . 190(5) 0.0 174.3 . 196(5) 0.0 176.2 . 194(4) 0.0 178.1 . 195(5) 0.0400 179.8 188.4 193(5) 0.0400 181.4 190.1 199(5) 0.0400 182.9 191.6 198(5) 0.0400 184.3 193.2 209(5) 0.0400 185.7 194.6 198(5) 0.0400 186.9 196.0 201(5) 0.0400 188.1 197.3 193(5) 0.0400 189.2 198.6 195(5) 0.0400 190.2 199.8 205(5) 0.0400 191.1 201.0 198(5) 0.0400 192.0 202.2 198(5) 0.0400 192.8 203.3 203(5) 0.0400 193.5 204.4 202(5) 0.0400 194.2 205.5 205(5) 0.0400 194.8 206.6 210(5) 0.0400 195.4 207.7 203(5) 0.0400 195.9 208.8 200(5) 0.0400 196.3 210.0 193(5) 0.0400 196.7 211.2 208(5) 0.0400 197.1 212.6 199(5) 0.0400 197.4 214.0 206(5) 0.0400 197.6 215.6 205(5) 0.0400 197.8 217.4 211(5) 0.0400 198.0 219.5 217(5) 0.0400 198.1 221.9 214(5) 0.0400 198.2 224.8 220(5) 0.0400 198.3 228.6 239(5) 0.0400 198.3 233.9 246(6) 0.02778 198.3 242.4 272(6) 0.02778 198.3 257.1 301(6) 0.02778 198.3 283.4 350(7) 0.02041 198.2 328.7 420(7) 0.02041 198.1 401.8 514(8) 0.01563 197.9 510.9 631(9) 0.01235 197.8 662.7 813(10) 0.01000 197.6 861.1 1022(12) 0.00694 197.4 1104.3 1328(13) 0.00592 197.2 1385.9 1636(14) 0.00510 197.0 1686.1 1872(15) 0.00444 196.7 1948.0 2042(15) 0.00444 196.5 2076.7 2032(15) 0.00444 196.2 1997.7 1857(13) 0.00592 195.9 1728.8 1535(12) 0.00694 195.6 1361.6 1130(10) 0.01000 195.3 996.4 792(8) 0.01563 194.9 699.4 547(7) 0.02041 194.6 493.1 399(6) 0.02778 194.3 367.4 329(6) 0.02778 193.9 298.5 270(5) 0.0400 193.6 263.1 255(5) 0.0400 193.2 244.9 249(5) 0.0400 192.8 234.7 235(5) 0.0400 192.4 228.0 218(5) 0.0400 192.1 223.2 212(5) 0.0400 191.7 219.4 211(5) 0.0400 191.3 216.2 198(5) 0.0400 190.9 213.6 207(5) 0.0400 190.5 211.3 202(4) 0.0625 190.1 209.4 195(5) 0.0400 189.7 207.8 205(5) 0.0400 189.3 206.3 199(5) 0.0400 188.9 205.1 193(5) 0.0400 188.5 204.0 197(5) 0.0400 188.1 203.0 196(5) 0.0400 187.7 202.2 204(5) 0.0400 187.3 201.4 195(5) 0.0400 186.9 200.8 196(5) 0.0400 186.5 200.3 194(5) 0.0400 186.1 199.8 191(5) 0.0400 185.8 199.5 196(5) 0.0400 185.4 199.3 201(5) 0.0400 185.0 199.1 199(5) 0.0400 184.6 199.1 196(5) 0.0400 184.2 199.2 191(5) 0.0400 183.9 199.5 198(5) 0.0400 183.5 199.9 200(5) 0.0400 183.1 200.5 197(5) 0.0400 182.8 201.4 198(5) 0.0400 182.4 202.5 206(5) 0.0400 182.1 204.0 205(5) 0.0400 181.7 206.0 210(5) 0.0400 181.4 208.8 221(5) 0.0400 181.1 212.9 240(5) 0.0400 180.7 219.6 252(6) 0.02778 180.4 231.5 275(6) 0.02778 180.1 253.2 315(6) 0.02778 179.8 291.4 375(7) 0.02041 179.5 355.5 464(8) 0.01563 179.2 455.6 603(9) 0.01235 178.9 600.7 803(10) 0.01000 178.6 793.7 1015(11) 0.00826 178.3 1025.2 1255(12) 0.00694 178.0 1272.2 1453(13) 0.00592 177.7 1495.2 1599(13) 0.00592 177.4 1629.3 1588(13) 0.00592 177.2 1608.2 1452(12) 0.00694 176.9 1426.0 1189(11) 0.00826 176.7 1148.0 906(9) 0.01235 176.4 857.0 635(7) 0.02041 176.2 612.2 447(6) 0.02778 175.9 437.3 327(5) 0.0400 175.7 328.6 255(5) 0.0400 175.5 268.5 224(5) 0.0400 175.3 238.3 211(5) 0.0400 175.0 224.1 210(5) 0.0400 174.8 218.2 208(5) 0.0400 174.6 217.0 209(5) 0.0400 174.4 218.5 208(5) 0.0400 174.2 221.7 219(5) 0.0400 174.0 225.3 220(5) 0.0400 173.8 227.8 213(5) 0.0400 173.7 227.2 211(5) 0.0400 173.5 222.5 203(5) 0.0400 173.3 214.7 193(4) 0.0625 173.1 205.9 198(5) 0.0400 173.0 197.9 190(5) 0.0400 172.8 191.7 188(4) 0.0625 172.7 187.4 187(5) 0.0400 172.5 184.6 183(5) 0.0400 172.4 182.8 183(5) 0.0400 172.2 181.7 186(5) 0.0400 172.1 180.8 196(5) 0.0400 172.0 180.2 192(5) 0.0400 171.8 179.6 185(4) 0.0625 171.7 179.1 182(4) 0.0625 171.6 178.6 178(4) 0.0625 171.4 178.2 168(4) 0.0625 171.3 177.8 180(5) 0.0400 171.2 177.4 177(5) 0.0400 171.1 177.1 174(5) 0.0400 171.0 176.8 175(5) 0.0400 170.9 176.5 181(5) 0.0400 170.8 176.2 179(5) 0.0400 170.7 176.0 174(5) 0.0400 170.6 175.8 166(5) 0.0400 170.5 175.5 175(5) 0.0400 170.4 175.3 173(5) 0.0400 170.3 175.2 169(5) 0.0400 170.2 175.0 175(5) 0.0400 170.2 174.8 175(4) 0.0625 170.1 174.7 167(5) 0.0400 170.0 174.5 178(5) 0.0400 169.9 174.4 181(5) 0.0400 169.8 174.3 177(5) 0.0400 169.8 174.2 171(5) 0.0400 169.7 174.0 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0.0400 167.5 177.2 183(4) 0.0625 167.4 177.8 183(4) 0.0625 167.4 178.5 186(5) 0.0400 167.3 179.2 184(5) 0.0400 167.2 180.0 183(4) 0.0625 167.2 181.0 187(5) 0.0400 167.1 182.1 186(5) 0.0400 167.1 183.5 191(5) 0.0400 167.0 185.0 188(5) 0.0400 166.9 186.8 187(5) 0.0400 166.9 188.9 190(5) 0.0400 166.8 191.5 190(5) 0.0400 166.7 194.6 203(5) 0.0400 166.7 198.4 207(5) 0.0400 166.6 203.3 216(5) 0.0400 166.5 209.8 228(5) 0.0400 166.5 219.3 247(6) 0.02778 166.4 234.8 283(6) 0.02778 166.3 262.2 332(7) 0.02041 166.2 312.4 420(7) 0.02041 166.2 401.9 554(9) 0.01235 166.1 551.9 784(10) 0.01000 166.0 781.9 1091(12) 0.00694 166.0 1097.4 1448(13) 0.00592 165.9 1472.9 1813(15) 0.00444 165.8 1845.3 2098(16) 0.00391 165.7 2125.6 2189(15) 0.00444 165.6 2211.5 2063(15) 0.00444 165.6 2047.2 1753(13) 0.00592 165.5 1693.4 1304(11) 0.00826 165.4 1276.1 874(9) 0.01235 165.3 899.3 590(7) 0.02041 165.2 615.1 396(6) 0.02778 165.2 429.7 290(5) 0.0400 165.1 322.4 248(5) 0.0400 165.0 265.3 233(5) 0.0400 164.9 235.8 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0.0625 161.2 165.2 166(4) 0.0625 161.1 165.0 169(4) 0.0625 161.0 164.8 168(4) 0.0625 160.9 164.6 168(4) 0.0625 160.8 164.5 164(4) 0.0625 160.7 164.4 167(4) 0.0625 160.6 164.4 165(4) 0.0625 160.5 164.4 172(4) 0.0625 160.4 164.5 170(4) 0.0625 160.3 164.8 165(4) 0.0625 160.2 165.1 170(4) 0.0625 160.1 165.4 168(4) 0.0625 160.0 165.5 170(4) 0.0625 159.9 165.5 168(4) 0.0625 159.8 165.1 158(4) 0.0625 159.7 164.6 159(4) 0.0625 159.6 164.0 162(4) 0.0625 159.5 163.5 165(4) 0.0625 159.4 163.1 160(4) 0.0625 159.3 162.9 166(4) 0.0625 159.3 162.7 164(4) 0.0625 159.2 162.6 161(4) 0.0625 159.1 162.5 165(4) 0.0625 159.0 162.5 165(4) 0.0625 158.9 162.4 166(4) 0.0625 158.8 162.4 164(4) 0.0625 158.7 162.4 163(4) 0.0625 158.6 162.4 159(4) 0.0625 158.5 162.5 157(4) 0.0625 158.4 162.6 165(4) 0.0625 158.4 162.7 165(4) 0.0625 158.3 162.9 166(4) 0.0625 158.2 163.1 165(4) 0.0625 158.1 163.4 165(4) 0.0625 158.0 163.8 160(4) 0.0625 157.9 164.4 171(4) 0.0625 157.9 165.3 169(4) 0.0625 157.8 166.8 171(4) 0.0625 157.7 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142.7 293.2 340(6) 0.02778 142.7 327.4 360(6) 0.02778 142.7 346.2 350(6) 0.02778 142.7 338.8 310(6) 0.02778 142.6 309.8 276(6) 0.02778 142.6 273.1 245(5) 0.0400 142.6 239.1 218(5) 0.0400 142.6 211.9 199(5) 0.0400 142.6 192.3 175(4) 0.0625 142.6 179.1 175(4) 0.0625 142.6 170.6 169(4) 0.0625 142.6 165.2 167(4) 0.0625 142.6 161.7 165(4) 0.0625 142.6 159.3 160(4) 0.0625 142.6 157.5 159(4) 0.0625 142.6 156.2 156(4) 0.0625 142.6 155.3 158(4) 0.0625 142.6 154.5 149(4) 0.0625 142.6 154.0 149(4) 0.0625 142.6 153.8 155(4) 0.0625 142.6 153.7 155(4) 0.0625 142.6 154.0 158(4) 0.0625 142.6 154.8 156(4) 0.0625 142.6 156.1 154(4) 0.0625 142.6 158.3 155(4) 0.0625 142.6 161.4 156(4) 0.0625 142.6 165.3 174(4) 0.0625 142.6 169.5 179(4) 0.0625 142.6 172.7 175(4) 0.0625 142.6 173.4 165(4) 0.0625 142.6 171.1 159(4) 0.0625 142.6 167.3 153(4) 0.0625 142.6 163.4 159(4) 0.0625 142.6 160.3 159(4) 0.0625 142.6 158.1 155(4) 0.0625 142.6 156.9 153(4) 0.0625 142.6 156.7 149(4) 0.0625 142.6 157.5 152(4) 0.0625 142.6 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214(5) 0.0400 143.2 211.5 200(4) 0.0625 143.2 196.7 190(4) 0.0625 143.2 188.1 186(4) 0.0625 143.2 184.1 171(4) 0.0625 143.2 183.7 176(4) 0.0625 143.3 186.5 186(4) 0.0625 143.3 192.2 190(4) 0.0625 143.3 200.3 195(4) 0.0625 143.3 209.3 208(5) 0.0400 143.4 216.1 210(5) 0.0400 143.4 217.0 201(4) 0.0625 143.4 211.4 191(4) 0.0625 143.4 202.3 189(4) 0.0625 143.5 193.1 188(4) 0.0625 143.5 185.3 177(4) 0.0625 143.5 179.0 173(4) 0.0625 143.5 173.8 173(4) 0.0625 143.6 169.7 174(4) 0.0625 143.6 166.6 162(4) 0.0625 143.6 164.4 163(4) 0.0625 143.6 162.9 165(4) 0.0625 143.7 162.0 162(4) 0.0625 143.7 161.5 161(4) 0.0625 143.7 161.4 157(4) 0.0625 143.7 161.5 155(4) 0.0625 143.8 161.9 159(4) 0.0625 143.8 162.5 171(4) 0.0625 143.8 163.3 163(4) 0.0625 143.9 164.5 162(4) 0.0625 143.9 166.1 167(4) 0.0625 143.9 168.2 162(4) 0.0625 143.9 171.0 168(4) 0.0625 144.0 174.6 173(4) 0.0625 144.0 179.0 177(4) 0.0625 144.0 184.0 186(4) 0.0625 144.1 188.9 185(4) 0.0625 144.1 192.8 188(4) 0.0625 144.1 195.2 193(4) 0.0625 144.2 197.0 193(5) 0.0400 144.2 199.6 199(4) 0.0625 144.2 203.8 209(5) 0.0400 144.3 210.6 215(5) 0.0400 144.3 221.2 243(5) 0.0400 144.3 237.4 260(5) 0.0400 144.4 262.3 303(6) 0.02778 144.4 300.5 366(6) 0.02778 144.4 357.8 458(7) 0.02041 144.5 439.8 594(8) 0.01563 144.5 549.6 742(9) 0.01235 144.5 683.5 880(9) 0.01235 144.6 823.9 968(10) 0.01000 144.6 930.7 962(10) 0.01000 144.6 954.7 873(9) 0.01235 144.7 886.1 750(9) 0.01235 144.7 766.7 610(8) 0.01563 144.7 642.7 506(7) 0.02041 144.8 536.0 433(7) 0.02041 144.8 449.5 360(6) 0.02778 144.8 379.9 325(6) 0.02778 144.9 325.0 283(5) 0.0400 144.9 283.5 258(5) 0.0400 145.0 253.2 236(5) 0.0400 145.0 231.3 213(5) 0.0400 145.0 215.5 207(5) 0.0400 145.1 204.1 198(4) 0.0625 145.1 195.8 184(4) 0.0625 145.1 189.7 187(4) 0.0625 145.2 185.2 182(4) 0.0625 145.2 181.8 178(4) 0.0625 145.3 179.4 180(4) 0.0625 145.3 178.0 178(4) 0.0625 145.3 177.7 184(4) 0.0625 145.4 178.8 190(4) 0.0625 145.4 181.4 190(4) 0.0625 145.5 185.8 202(4) 0.0625 145.5 191.8 209(5) 0.0400 145.5 198.6 216(5) 0.0400 145.6 204.1 206(5) 0.0400 145.6 205.6 209(5) 0.0400 145.7 201.7 199(4) 0.0625 145.7 194.2 186(4) 0.0625 145.8 186.0 177(4) 0.0625 145.8 178.7 170(4) 0.0625 145.8 172.9 173(4) 0.0625 145.9 168.8 163(4) 0.0625 145.9 166.1 163(4) 0.0625 146.0 164.5 169(4) 0.0625 146.0 163.9 168(4) 0.0625 146.0 164.1 161(4) 0.0625 146.1 165.0 170(4) 0.0625 146.1 166.7 176(4) 0.0625 146.2 169.0 176(4) 0.0625 146.2 171.4 168(4) 0.0625 146.3 173.1 177(4) 0.0625 146.3 173.2 170(4) 0.0625 146.4 171.5 170(4) 0.0625 146.4 168.7 166(4) 0.0625 146.4 166.0 168(4) 0.0625 146.5 163.6 168(4) 0.0625 146.5 161.9 165(4) 0.0625 146.6 160.7 166(4) 0.0625 146.6 160.0 154(4) 0.0625 146.7 159.7 164(4) 0.0625 146.7 159.7 166(4) 0.0625 146.8 159.9 165(4) 0.0625 146.8 160.2 157(4) 0.0625 146.9 160.8 165(4) 0.0625 146.9 161.6 167(4) 0.0625 146.9 162.6 168(4) 0.0625 147.0 164.0 165(4) 0.0625 147.0 166.0 163(4) 0.0625 147.1 168.7 175(4) 0.0625 147.1 172.7 171(4) 0.0625 147.2 178.7 189(4) 0.0625 147.2 187.6 207(5) 0.0400 147.3 200.0 234(5) 0.0400 147.3 216.6 261(5) 0.0400 147.4 236.9 277(5) 0.0400 147.4 258.7 288(5) 0.0400 147.5 276.3 293(5) 0.0400 147.5 282.2 284(5) 0.0400 147.6 273.2 255(5) 0.0400 147.6 254.7 230(5) 0.0400 147.7 234.0 219(5) 0.0400 147.7 215.8 201(4) 0.0625 147.8 201.8 195(4) 0.0625 147.8 192.2 185(4) 0.0625 147.9 186.4 179(4) 0.0625 147.9 183.9 189(4) 0.0625 148.0 184.3 189(4) 0.0625 148.0 187.3 208(5) 0.0400 148.1 193.0 216(5) 0.0400 148.1 201.7 228(5) 0.0400 148.2 213.2 239(5) 0.0400 148.2 226.8 259(5) 0.0400 148.3 240.6 264(5) 0.0400 148.3 252.3 275(5) 0.0400 148.4 262.0 283(5) 0.0400 148.4 271.9 296(5) 0.0400 148.5 282.8 296(5) 0.0400 148.5 290.9 275(5) 0.0400 148.6 289.8 278(5) 0.0400 148.6 276.6 251(5) 0.0400 148.7 255.9 231(5) 0.0400 148.7 234.1 219(5) 0.0400 148.8 215.0 203(5) 0.0400 148.8 200.1 194(4) 0.0625 148.9 189.1 188(4) 0.0625 148.9 181.5 180(4) 0.0625 149.0 176.4 169(4) 0.0625 149.0 172.9 162(4) 0.0625 149.1 170.7 171(4) 0.0625 149.1 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157.6 309.2 337(6) 0.02778 157.6 335.9 361(7) 0.02041 157.7 367.3 388(7) 0.02041 157.7 401.8 414(7) 0.02041 157.7 436.2 445(7) 0.02041 157.8 464.8 458(7) 0.02041 157.8 480.9 453(7) 0.02041 157.9 479.8 448(7) 0.02041 157.9 462.0 423(7) 0.02041 158.0 432.9 406(7) 0.02041 158.0 399.2 374(6) 0.02778 158.1 366.2 343(6) 0.02778 158.1 337.1 332(6) 0.02778 158.2 313.2 307(6) 0.02778 158.2 295.0 293(5) 0.0400 158.3 282.6 283(6) 0.02778 158.3 275.7 278(6) 0.02778 158.4 274.0 270(5) 0.0400 158.4 277.0 291(6) 0.02778 158.5 284.5 307(6) 0.02778 158.5 295.8 318(6) 0.02778 158.6 309.9 325(6) 0.02778 158.6 325.2 334(6) 0.02778 158.7 339.0 351(6) 0.02778 158.7 348.0 354(6) 0.02778 158.8 349.3 336(6) 0.02778 158.8 342.3 325(6) 0.02778 158.9 329.1 317(6) 0.02778 159.0 312.7 310(6) 0.02778 159.0 295.7 280(6) 0.02778 159.1 279.6 267(5) 0.0400 159.1 264.8 251(5) 0.0400 159.2 251.6 243(5) 0.0400 159.2 240.0 235(5) 0.0400 159.3 230.2 225(5) 0.0400 159.4 222.1 220(5) 0.0400 159.4 215.6 218(5) 0.0400 159.5 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0.0400 168.2 190.5 197(5) 0.0400 168.3 192.0 199(5) 0.0400 168.4 193.7 194(5) 0.0400 168.5 195.5 198(5) 0.0400 168.6 197.1 200(5) 0.0400 168.7 198.5 199(5) 0.0400 168.8 199.5 198(5) 0.0400 168.9 200.0 202(5) 0.0400 169.0 200.1 197(5) 0.0400 169.1 199.9 199(5) 0.0400 169.2 199.8 200(5) 0.0400 169.2 200.0 200(5) 0.0400 169.3 200.5 199(5) 0.0400 169.4 201.6 202(5) 0.0400 169.5 203.4 204(5) 0.0400 169.6 206.0 204(5) 0.0400 169.7 209.5 207(5) 0.0400 169.8 214.0 218(6) 0.02778 169.9 219.6 219(6) 0.02778 170.0 226.3 230(6) 0.02778 170.1 234.2 247(6) 0.02778 170.2 243.1 255(6) 0.02778 170.3 252.7 254(6) 0.02778 170.4 262.2 266(6) 0.02778 170.5 270.7 283(6) 0.02778 170.6 276.9 282(6) 0.02778 170.7 279.7 287(6) 0.02778 170.7 278.7 277(6) 0.02778 170.8 274.2 270(6) 0.02778 170.9 267.2 268(6) 0.02778 171.0 259.0 255(6) 0.02778 171.1 250.6 245(6) 0.02778 171.2 242.5 234(6) 0.02778 171.3 235.2 233(6) 0.02778 171.4 228.6 221(6) 0.02778 171.5 222.9 225(6) 0.02778 171.6 218.1 214(6) 0.02778 171.7 214.2 209(5) 0.0400 171.8 211.2 211(6) 0.02778 171.9 208.8 205(5) 0.0400 172.0 207.2 204(5) 0.0400 172.1 206.1 208(5) 0.0400 172.2 205.5 210(5) 0.0400 172.3 205.4 208(5) 0.0400 172.4 205.8 205(5) 0.0400 172.5 206.6 200(5) 0.0400 172.6 207.8 202(5) 0.0400 172.7 209.6 209(5) 0.0400 172.8 211.9 208(6) 0.02778 172.9 214.9 211(5) 0.0400 173.0 218.6 218(6) 0.02778 173.1 223.1 222(5) 0.0400 173.2 228.5 224(5) 0.0400 173.3 234.7 241(5) 0.0400 173.4 241.9 248(6) 0.02778 173.5 249.7 266(6) 0.02778 173.6 258.1 277(6) 0.02778 173.8 266.5 281(6) 0.02778 173.9 274.1 280(6) 0.02778 174.0 280.2 290(6) 0.02778 174.1 283.9 288(6) 0.02778 174.2 285.2 283(6) 0.02778 174.3 284.3 277(6) 0.02778 174.4 282.1 279(6) 0.02778 174.5 279.6 279(6) 0.02778 174.6 277.8 265(6) 0.02778 174.7 277.5 265(6) 0.02778 174.8 279.2 270(6) 0.02778 174.9 283.4 280(6) 0.02778 175.0 290.5 292(6) 0.02778 175.1 300.9 300(6) 0.02778 175.2 315.0 313(6) 0.02778 175.4 332.9 338(6) 0.02778 175.5 354.8 372(7) 0.02041 175.6 380.7 422(7) 0.02041 175.7 410.3 454(7) 0.02041 175.8 442.6 514(8) 0.01563 175.9 476.1 554(8) 0.01563 176.0 507.8 593(9) 0.01235 176.1 534.3 620(9) 0.01235 176.2 551.3 613(9) 0.01235 176.3 555.8 588(9) 0.01235 176.5 546.9 563(8) 0.01563 176.6 526.3 522(8) 0.01563 176.7 497.7 477(8) 0.01563 176.8 465.0 426(7) 0.02041 176.9 431.4 398(7) 0.02041 177.0 399.2 364(7) 0.02041 177.1 369.6 340(7) 0.02041 177.3 343.2 314(6) 0.02778 177.4 320.2 296(6) 0.02778 177.5 300.6 277(6) 0.02778 177.6 284.0 264(6) 0.02778 177.7 270.2 265(6) 0.02778 177.8 258.9 261(6) 0.02778 177.9 249.6 248(6) 0.02778 178.1 242.1 237(5) 0.0400 178.2 236.0 235(5) 0.0400 178.3 230.9 233(5) 0.0400 178.4 226.8 222(5) 0.0400 178.5 223.4 219(5) 0.0400 178.6 220.6 218(6) 0.02778 178.8 218.3 212(6) 0.02778 178.9 216.3 214(6) 0.02778 179.0 214.6 214(6) 0.02778 179.1 213.2 212(6) 0.02778 179.2 212.1 203(5) 0.0400 179.3 211.1 209(5) 0.0400 179.5 210.3 214(6) 0.02778 179.6 209.7 200(5) 0.0400 179.7 209.2 202(5) 0.0400 179.8 208.9 210(5) 0.0400 179.9 208.7 207(5) 0.0400 180.1 208.7 208(5) 0.0400 180.2 208.7 206(5) 0.0400 180.3 209.0 200(5) 0.0400 180.4 209.4 203(5) 0.0400 180.5 209.9 200(5) 0.0400 180.7 210.7 205(5) 0.0400 180.8 211.6 208(5) 0.0400 180.9 212.9 208(5) 0.0400 181.0 214.4 207(5) 0.0400 181.1 216.4 210(5) 0.0400 181.2 218.8 218(6) 0.02778 181.4 221.8 221(6) 0.02778 181.5 225.5 232(6) 0.02778 181.6 230.0 224(6) 0.02778 181.7 235.3 234(6) 0.02778 181.8 241.7 237(6) 0.02778 182.0 249.2 244(6) 0.02778 182.1 257.8 259(6) 0.02778 182.2 267.5 281(6) 0.02778 182.3 278.2 295(6) 0.02778 182.4 289.7 313(7) 0.02041 182.6 301.3 333(7) 0.02041 182.7 312.3 339(7) 0.02041 182.8 321.6 351(7) 0.02041 182.9 328.1 354(7) 0.02041 183.0 330.7 351(7) 0.02041 183.2 329.1 336(7) 0.02041 183.3 323.7 329(7) 0.02041 183.4 315.4 308(7) 0.02041 183.5 305.4 293(7) 0.02041 183.6 294.7 286(6) 0.02778 183.7 284.0 272(6) 0.02778 183.9 274.0 267(6) 0.02778 184.0 264.7 261(6) 0.02778 184.1 256.4 253(6) 0.02778 184.2 249.1 246(6) 0.02778 184.3 242.9 232(6) 0.02778 184.4 237.6 230(6) 0.02778 184.6 233.2 217(6) 0.02778 184.7 229.6 216(6) 0.02778 184.8 226.8 215(6) 0.02778 184.9 224.5 220(6) 0.02778 185.0 222.8 220(6) 0.02778 185.1 221.5 212(5) 0.0400 185.3 220.6 216(6) 0.02778 185.4 220.0 224(6) 0.02778 185.5 219.7 217(6) 0.02778 185.6 219.7 224(6) 0.02778 185.7 219.9 216(6) 0.02778 185.8 220.4 224(6) 0.02778 185.9 221.1 224(6) 0.02778 186.0 222.0 214(5) 0.0400 186.1 223.1 209(5) 0.0400 186.2 224.5 218(6) 0.02778 186.4 226.2 223(6) 0.02778 186.5 228.1 219(6) 0.02778 186.6 230.2 224(6) 0.02778 186.7 232.5 227(6) 0.02778 186.8 235.1 222(6) 0.02778 186.9 237.8 219(6) 0.02778 187.0 240.6 220(6) 0.02778 187.1 243.4 233(6) 0.02778 187.2 246.2 243(6) 0.02778 187.3 249.0 241(6) 0.02778 187.4 251.9 235(6) 0.02778 187.5 255.1 246(6) 0.02778 187.6 258.8 249(6) 0.02778 187.7 263.3 267(6) 0.02778 187.8 268.9 269(6) 0.02778 187.9 275.7 275(6) 0.02778 188.0 284.2 289(6) 0.02778 188.1 294.6 305(7) 0.02041 188.2 307.1 316(7) 0.02041 188.2 322.2 334(7) 0.02041 188.3 340.1 362(7) 0.02041 188.4 360.9 391(7) 0.02041 188.5 384.9 420(8) 0.01563 188.6 412.0 441(8) 0.01563 188.7 442.0 476(8) 0.01563 188.8 474.5 526(9) 0.01235 188.8 508.4 565(9) 0.01235 188.9 542.1 599(9) 0.01235 189.0 573.5 618(9) 0.01235 189.1 599.5 647(10) 0.01000 189.2 617.4 630(9) 0.01235 189.2 624.5 634(10) 0.01000 189.3 620.0 593(9) 0.01235 189.4 604.6 564(9) 0.01235 189.5 580.3 546(9) 0.01235 189.5 550.2 514(9) 0.01235 189.6 517.1 484(8) 0.01563 189.7 483.4 451(8) 0.01563 189.7 450.9 426(8) 0.01563 189.8 420.6 390(8) 0.01563 189.9 393.1 371(7) 0.02041 189.9 368.7 357(7) 0.02041 190.0 347.3 343(7) 0.02041 190.1 329.0 322(7) 0.02041 190.1 313.4 316(7) 0.02041 190.2 300.4 303(7) 0.02041 190.2 289.6 290(6) 0.02778 190.3 280.7 288(6) 0.02778 190.3 273.6 285(6) 0.02778 190.4 267.9 280(6) 0.02778 190.4 263.5 270(6) 0.02778 190.5 260.1 268(6) 0.02778 190.5 257.8 265(6) 0.02778 190.6 256.4 270(6) 0.02778 190.6 255.8 268(6) 0.02778 190.7 256.0 266(6) 0.02778 190.7 257.1 254(6) 0.02778 190.7 259.0 251(6) 0.02778 190.8 261.8 260(6) 0.02778 190.8 265.5 265(6) 0.02778 190.8 270.2 269(6) 0.02778 190.9 275.8 286(6) 0.02778 190.9 282.3 300(6) 0.02778 190.9 289.6 309(6) 0.02778 191.0 297.7 320(6) 0.02778 191.0 306.2 339(6) 0.02778 191.0 314.8 352(7) 0.02041 191.0 322.9 353(7) 0.02041 191.0 329.8 351(7) 0.02041 191.1 334.8 352(7) 0.02041 191.1 337.2 344(7) 0.02041 191.1 336.7 345(7) 0.02041 191.1 333.2 342(7) 0.02041 191.1 327.2 323(6) 0.02778 191.1 319.3 316(6) 0.02778 191.1 310.4 307(6) 0.02778 191.1 300.9 297(6) 0.02778 191.1 291.6 284(6) 0.02778 191.1 282.7 274(6) 0.02778 191.1 274.4 264(6) 0.02778 191.1 267.0 263(6) 0.02778 191.1 260.5 259(6) 0.02778 191.1 254.8 250(6) 0.02778 191.1 250.0 247(6) 0.02778 191.1 246.0 236(5) 0.0400 191.1 242.8 239(5) 0.0400 191.1 240.3 237(5) 0.0400 191.1 238.3 231(5) 0.0400 191.0 237.0 230(5) 0.0400 191.0 236.1 228(5) 0.0400 191.0 235.6 243(5) 0.0400 191.0 235.4 239(5) 0.0400 191.0 235.5 242(6) 0.02778 190.9 235.8 237(5) 0.0400 190.9 236.1 245(6) 0.02778 190.9 236.5 243(6) 0.02778 190.9 236.9 244(5) 0.0400 190.8 237.3 253(6) 0.02778 190.8 237.6 244(6) 0.02778 190.8 237.9 241(5) 0.0400 190.7 238.1 243(6) 0.02778 190.7 238.1 243(5) 0.0400 190.7 238.0 253(6) 0.02778 190.6 237.7 245(6) 0.02778 190.6 237.1 238(5) 0.0400 190.5 236.3 237(5) 0.0400 190.5 235.3 248(6) 0.02778 190.5 234.3 233(5) 0.0400 190.4 233.3 225(6) 0.02778 190.4 232.3 224(6) 0.02778 190.3 231.5 221(6) 0.02778 190.3 230.8 220(6) 0.02778 190.2 230.4 238(6) 0.02778 190.2 230.2 230(6) 0.02778 190.2 230.3 224(6) 0.02778 190.1 230.7 227(6) 0.02778 190.1 231.4 236(6) 0.02778 190.0 232.4 232(6) 0.02778 190.0 233.7 231(6) 0.02778 189.9 235.5 236(6) 0.02778 189.9 237.7 224(6) 0.02778 189.8 240.3 241(6) 0.02778 189.8 243.5 251(6) 0.02778 189.7 247.1 249(6) 0.02778 189.7 251.4 245(6) 0.02778 189.6 256.3 252(6) 0.02778 189.6 261.9 256(6) 0.02778 189.5 268.0 264(6) 0.02778 189.5 274.8 272(6) 0.02778 189.4 282.2 283(6) 0.02778 189.4 290.1 293(6) 0.02778 189.3 298.3 301(7) 0.02041 189.3 306.6 305(7) 0.02041 189.2 314.6 308(7) 0.02041 189.2 322.0 323(7) 0.02041 189.1 328.3 334(7) 0.02041 189.1 333.1 333(7) 0.02041 189.0 336.2 319(7) 0.02041 189.0 337.4 332(7) 0.02041 189.0 337.1 324(7) 0.02041 188.9 335.5 334(8) 0.01563 188.9 333.2 322(7) 0.02041 188.8 330.8 322(7) 0.02041 188.8 328.8 319(7) 0.02041 188.8 327.5 316(7) 0.02041 188.7 327.5 319(7) 0.02041 188.7 328.9 312(7) 0.02041 188.7 332.1 330(7) 0.02041 188.6 337.1 330(7) 0.02041 188.6 344.2 346(8) 0.01563 188.6 353.6 341(8) 0.01563 188.6 365.1 361(8) 0.01563 188.6 379.0 385(8) 0.01563 188.5 395.1 407(8) 0.01563 188.5 413.3 416(8) 0.01563 188.5 433.5 441(8) 0.01563 188.5 455.3 484(9) 0.01235 188.5 478.0 496(9) 0.01235 188.5 500.9 487(9) 0.01235 188.5 523.0 525(10) 0.01000 188.5 543.0 520(10) 0.01000 188.5 559.4 554(10) 0.01000 188.5 570.9 560(11) 0.00826 188.6 576.5 563(11) 0.00826 188.6 575.7 547(10) 0.01000 188.6 568.6 521(10) 0.01000 188.6 556.2 499(10) 0.01000 188.7 539.4 507(10) 0.01000 188.7 519.7 494(10) 0.01000 188.7 498.2 455(10) 0.01000 188.8 475.9 462(10) 0.01000 188.8 453.6 457(10) 0.01000 188.9 431.7 426(9) 0.01235 188.9 410.6 395(9) 0.01235 189.0 390.6 380(9) 0.01235 189.1 371.9 366(9) 0.01235 189.1 354.5 357(9) 0.01235 189.2 338.7 351(8) 0.01563 189.3 324.3 334(8) 0.01563 189.4 311.4 309(8) 0.01563 189.5 300.0 312(8) 0.01563 189.6 289.9 296(8) 0.01563 189.7 281.0 306(8) 0.01563 189.8 273.3 274(8) 0.01563 189.9 266.6 278(8) 0.01563 190.0 260.8 263(7) 0.02041 190.1 255.8 269(7) 0.02041 190.2 251.5 264(7) 0.02041 190.4 247.8 261(7) 0.02041 190.5 244.6 243(7) 0.02041 190.7 241.9 253(7) 0.02041 190.8 239.6 252(7) 0.02041 191.0 237.6 247(7) 0.02041 191.1 235.9 256(7) 0.02041 191.3 234.5 241(7) 0.02041 191.5 233.4 237(7) 0.02041 191.6 232.4 236(7) 0.02041 191.8 231.7 238(7) 0.02041 192.0 231.1 239(7) 0.02041 192.2 230.7 243(7) 0.02041 192.4 230.5 237(7) 0.02041 192.6 230.4 236(7) 0.02041 192.8 230.4 233(7) 0.02041 193.0 230.4 232(7) 0.02041 193.3 230.6 239(7) 0.02041 193.5 230.8 228(7) 0.02041 193.7 231.0 229(7) 0.02041 194.0 231.2 233(7) 0.02041 194.2 231.3 224(7) 0.02041 194.5 231.4 225(7) 0.02041 194.7 231.4 229(8) 0.01563 195.0 231.4 230(7) 0.02041 195.2 231.3 220(7) 0.02041 195.5 231.2 240(8) 0.01563 195.8 231.2 227(8) 0.01563 196.0 231.2 218(7) 0.02041 196.3 231.3 237(8) 0.01563 196.6 231.5 226(8) 0.01563 196.9 231.8 238(8) 0.01563 197.2 232.3 230(8) 0.01563 197.4 232.9 240(8) 0.01563 197.7 233.8 233(8) 0.01563 198.0 234.8 228(8) 0.01563 198.3 236.1 219(8) 0.01563 198.6 237.6 232(7) 0.02041 198.9 239.4 231(8) 0.01563 199.2 241.5 244(8) 0.01563 199.5 243.8 248(8) 0.01563 199.8 246.5 246(8) 0.01563 200.1 249.6 243(8) 0.01563 200.4 253.0 244(8) 0.01563 200.6 256.8 261(8) 0.01563 200.9 260.9 253(8) 0.01563 201.2 265.3 272(8) 0.01563 201.5 270.1 276(10) 0.01000 201.8 275.2 269(9) 0.01235 202.0 280.5 281(10) 0.01000 202.3 286.1 284(10) 0.01000 202.5 291.7 292(10) 0.01000 202.8 297.5 305(10) 0.01000 203.0 303.2 322(10) 0.01000 203.3 308.8 307(10) 0.01000 203.5 314.2 308(10) 0.01000 203.7 319.1 332(10) 0.01000 203.9 323.3 333(11) 0.00826 204.1 326.6 329(10) 0.01000 204.2 328.7 340(11) 0.00826 204.4 329.5 335(11) 0.00826 204.5 328.9 334(10) 0.01000 204.6 327.0 336(11) 0.00826 204.7 323.7 346(11) 0.00826 204.8 319.4 327(11) 0.00826 204.9 314.2 328(10) 0.01000 204.9 308.5 317(10) 0.01000 204.9 302.4 292(10) 0.01000 204.9 296.3 291(10) 0.01000 204.9 290.2 277(10) 0.01000 204.8 284.2 267(10) 0.01000 204.7 278.6 259(9) 0.01235 204.6 273.3 249(11) 0.00826 204.5 268.4 239(11) 0.00826 204.3 263.8 254(11) 0.00826 204.0 259.7 263(11) 0.00826 203.8 256.0 257(11) 0.00826 203.5 252.6 244(11) 0.00826 203.1 249.6 251(11) 0.00826 202.7 247.0 232(11) 0.00826 202.3 244.7 235(11) 0.00826 201.8 242.7 243(11) 0.00826 201.2 240.9 247(11) 0.00826 200.6 239.4 241(11) 0.00826 200.0 238.2 233(11) 0.00826 199.3 237.1 249(11) 0.00826 198.5 236.2 231(11) 0.00826 197.7 235.5 226(10) 0.01000 196.8 234.9 230(11) 0.00826 195.8 234.5 234(11) 0.00826 194.8 234.1 241(11) 0.00826 193.7 233.8 232(11) 0.00826 192.5 233.6 227(11) 0.00826 191.2 233.4 243(11) 0.00826 189.8 233.2 232(11) 0.00826 188.4 232.9 243(11) 0.00826 186.9 232.5 238(11) 0.00826 185.2 232.0 237(15) . . . 266(16) . . . 233(15) . . . 261(16) . . . 236(16) . . . 238(16) . . . 221(15) . . . 230(15) . . . 227(15) . . . 219(15) . . . 222(14) . . . 254(16) . . . 261(16) . . . 245(16) . . . 252(16) . . . 232(15) . . . 222(15) . . . 240(16) . . . 215(15) . . . 214(15) . . . 231(15) . . . 235(15) . . . 231(16) . . . 206(15) . . . 0(16) . . . loop_ _refln_index_h _refln_index_k _refln_index_l _refln_observed_status _refln_F_squared_meas _refln_F_squared_calc _refln_phase_calc _refln_d_spacing _gsas_i100_meas 18 8 4 o 348.418 349.334 180.00 1.24835 0.44 16 2 12 o 118.710 119.022 0.00 1.24835 0.15 16 12 2 o 29.709 29.787 0.00 1.24835 0.04 14 8 12 o 214.329 214.893 180.00 1.24835 0.27 14 12 8 o 805.987 808.106 180.00 1.24835 1.01 18 4 8 o 586.100 587.640 180.00 1.24835 0.73 15 13 3 o 26.635 27.440 0.00 1.24990 0.03 15 3 13 o 220.251 226.908 0.00 1.24990 0.27 16 12 0 o 293.707 289.809 180.00 1.25458 0.18 20 0 0 o 90.092 88.896 180.00 1.25458 0.03 16 0 12 o 1.670 1.648 180.00 1.25458 0.00 14 14 2 o 6.181 5.943 0.00 1.26090 0.01 14 10 10 o 638.491 613.911 180.00 1.26090 0.73 18 6 6 o 4.356 4.188 180.00 1.26090 0.00 19 5 3 o 3043.621 3089.359 180.00 1.26249 3.45 15 13 1 o 34.408 34.925 180.00 1.26249 0.04 15 7 11 o 355.832 361.179 180.00 1.26249 0.40 19 3 5 o 2585.364 2624.217 180.00 1.26249 2.93 15 1 13 o 0.004 0.004 0.00 1.26249 0.00 15 11 7 o 738.025 749.116 180.00 1.26249 0.84 17 5 9 o 37.114 37.671 180.00 1.26249 0.04 17 9 5 o 35.723 36.260 180.00 1.26249 0.04 16 6 10 o 417.497 439.646 180.00 1.26731 0.46 14 14 0 o 43.929 46.259 0.00 1.26731 0.02 16 10 6 o 546.496 575.489 180.00 1.26731 0.60 18 8 2 o 359.124 378.176 180.00 1.26731 0.40 18 2 8 o 561.051 590.816 180.00 1.26731 0.62 12 12 10 o 308.681 295.308 0.00 1.27383 0.33 19 1 5 o 5.155 4.902 0.00 1.27547 0.01 13 13 7 o 107.843 102.548 0.00 1.27547 0.11 15 9 9 o 1.396 1.328 0.00 1.27547 0.00 19 5 1 o 0.175 0.167 180.00 1.27547 0.00 17 7 7 o 52.310 49.742 180.00 1.27547 0.06 16 8 8 o 2431.206 2296.999 0.00 1.28045 2.52 19 3 3 o 131.394 130.136 0.00 1.28887 0.13 17 9 3 o 3024.342 2995.394 180.00 1.28887 3.04 17 3 9 o 4642.153 4597.719 180.00 1.28887 4.67 14 6 12 o 11.742 13.621 0.00 1.29400 0.01 14 12 6 o 105.943 122.900 180.00 1.29400 0.10 18 4 6 o 75.970 88.130 0.00 1.29400 0.08 18 6 4 o 7.319 8.490 0.00 1.29400 0.01 16 10 4 o 1.363 1.386 180.00 1.30094 0.00 16 4 10 o 77.622 78.970 180.00 1.30094 0.08 19 1 3 o 334.919 332.116 180.00 1.30269 0.32 13 9 11 o 355.671 352.694 180.00 1.30269 0.34 15 11 5 o 47.797 47.397 180.00 1.30269 0.05 13 11 9 o 1146.619 1137.023 180.00 1.30269 1.10 15 5 11 o 10.825 10.734 180.00 1.30269 0.01 19 3 1 o 362.011 358.982 180.00 1.30269 0.35 17 9 1 o 0.860 0.852 0.00 1.30269 0.00 17 1 9 o 62.742 62.217 180.00 1.30269 0.06 18 6 2 o 78.154 77.240 180.00 1.31515 0.07 18 2 6 o 30.070 29.718 180.00 1.31515 0.03 11 11 11 o 11797.944 11417.900 0.00 1.31696 3.66 17 7 5 o 680.540 658.618 0.00 1.31696 0.63 13 13 5 o 1097.171 1061.829 180.00 1.31696 1.02 19 1 1 o 51.404 49.748 0.00 1.31696 0.05 17 5 7 o 648.005 627.132 0.00 1.31696 0.60 14 8 10 o 259.219 263.769 180.00 1.32244 0.24 16 2 10 o 181.029 184.206 180.00 1.32244 0.17 18 0 6 o 0.023 0.024 0.00 1.32244 0.00 16 10 2 o 72.337 73.607 180.00 1.32244 0.07 18 6 0 o 13.175 13.406 180.00 1.32244 0.01 14 10 8 o 703.356 715.702 180.00 1.32244 0.65 16 8 6 o 0.764 0.756 0.00 1.32985 0.00 14 12 4 o 49.829 49.306 0.00 1.32985 0.05 16 6 8 o 4.990 4.938 0.00 1.32985 0.00 18 4 4 o 19.949 19.740 0.00 1.32985 0.02 14 4 12 o 17.245 17.064 0.00 1.32985 0.02 15 11 3 o 739.103 737.821 0.00 1.33172 0.67 15 9 7 o 61.389 61.282 0.00 1.33172 0.06 15 7 9 o 234.308 233.902 0.00 1.33172 0.21 15 3 11 o 508.442 507.559 0.00 1.33172 0.46 12 12 8 o 221.792 219.484 180.00 1.33738 0.20 15 1 11 o 0.000 0.000 0.00 1.34698 0.00 13 13 3 o 744.148 743.732 0.00 1.34698 0.66 15 11 1 o 13.432 13.425 0.00 1.34698 0.01 17 7 3 o 36.011 35.991 0.00 1.34698 0.03 17 3 7 o 2.925 2.923 0.00 1.34698 0.00 12 10 10 o 752.102 696.267 0.00 1.35284 0.66 14 12 2 o 679.841 629.369 0.00 1.35284 0.60 18 2 4 o 3.235 2.994 0.00 1.35284 0.00 18 4 2 o 46.505 43.053 180.00 1.35284 0.04 14 2 12 o 264.018 244.418 0.00 1.35284 0.23 17 5 5 o 2711.672 2770.741 0.00 1.36278 2.35 13 13 1 o 43.348 44.293 0.00 1.36278 0.04 17 1 7 o 277.123 283.160 0.00 1.36278 0.24 13 7 11 o 487.785 498.411 0.00 1.36278 0.42 17 7 1 o 273.098 279.048 0.00 1.36278 0.24 13 11 7 o 57.564 58.818 0.00 1.36278 0.05 16 4 8 o 1004.528 992.492 180.00 1.36886 0.86 16 8 4 o 459.499 453.993 180.00 1.36886 0.40 18 2 2 o 148.500 143.433 180.00 1.37708 0.13 14 6 10 o 3.397 3.281 0.00 1.37708 0.00 14 10 6 o 102.481 98.984 180.00 1.37708 0.09 15 5 9 o 754.755 739.877 180.00 1.37916 0.64 15 9 5 o 624.922 612.603 180.00 1.37916 0.53 13 9 9 o 961.215 942.267 180.00 1.37916 0.82 18 2 0 o 14.092 14.358 0.00 1.38545 0.01 16 6 6 o 4298.841 4379.926 0.00 1.38545 3.65 18 0 2 o 39.074 39.811 180.00 1.38545 0.02 16 2 8 o 1029.534 1071.447 0.00 1.39397 0.87 14 8 8 o 0.648 0.675 0.00 1.39397 0.00 16 8 2 o 1993.078 2074.220 0.00 1.39397 1.68 12 12 6 o 1048.284 1090.962 0.00 1.39397 0.88 11 11 9 o 11.616 12.285 0.00 1.39613 0.01 17 5 3 o 40.809 43.160 180.00 1.39613 0.03 17 3 5 o 3.014 3.188 0.00 1.39613 0.00 15 7 7 o 16.834 17.804 180.00 1.39613 0.01 16 0 8 o 8.398 9.428 180.00 1.40266 0.00 16 8 0 o 1.180 1.325 180.00 1.40266 0.00 15 3 9 o 2.659 4.283 0.00 1.41375 0.00 13 5 11 o 0.599 0.965 180.00 1.41375 0.00 17 5 1 o 9.204 14.827 0.00 1.41375 0.01 15 9 3 o 19.532 31.466 0.00 1.41375 0.02 17 1 5 o 4.201 6.768 180.00 1.41375 0.00 13 11 5 o 0.201 0.324 0.00 1.41375 0.00 14 10 4 o 0.019 0.018 180.00 1.42053 0.00 14 4 10 o 5.166 4.671 0.00 1.42053 0.00 12 10 8 o 113.240 106.503 180.00 1.42972 0.09 16 6 4 o 29.111 27.379 180.00 1.42972 0.02 12 8 10 o 16.029 15.076 180.00 1.42972 0.01 16 4 6 o 36.884 34.690 180.00 1.42972 0.03 15 9 1 o 7.302 7.124 0.00 1.43205 0.01 17 3 3 o 1946.615 1899.187 180.00 1.43205 1.62 15 1 9 o 58.667 57.238 180.00 1.43205 0.05 12 12 4 o 68.087 59.540 180.00 1.43910 0.06 14 10 2 o 79.093 83.349 180.00 1.44866 0.07 10 10 10 o 112.381 118.428 180.00 1.44866 0.03 14 2 10 o 87.529 92.239 180.00 1.44866 0.07 13 11 3 o 1.982 2.120 180.00 1.45108 0.00 13 9 7 o 256.382 274.348 180.00 1.45108 0.21 13 3 11 o 7.475 7.999 0.00 1.45108 0.01 17 3 1 o 24.032 25.715 0.00 1.45108 0.02 15 7 5 o 29.149 31.191 180.00 1.45108 0.02 13 7 9 o 4.843 5.182 0.00 1.45108 0.00 15 5 7 o 1.199 1.283 180.00 1.45108 0.00 17 1 3 o 0.153 0.164 180.00 1.45108 0.00 14 8 6 o 1767.100 1712.089 180.00 1.45842 1.46 14 10 0 o 93.388 90.481 180.00 1.45842 0.04 16 6 2 o 4.747 4.600 0.00 1.45842 0.00 14 6 8 o 712.695 690.508 180.00 1.45842 0.59 16 2 6 o 11.821 11.453 0.00 1.45842 0.01 14 0 10 o 40.257 39.003 180.00 1.45842 0.02 12 12 2 o 1.301 1.200 180.00 1.46837 0.00 11 11 7 o 3.714 3.652 180.00 1.47089 0.00 13 11 1 o 69.290 68.139 0.00 1.47089 0.06 17 1 1 o 1087.660 1069.597 180.00 1.47089 0.90 13 1 11 o 267.672 263.227 0.00 1.47089 0.22 16 4 4 o 167.913 161.079 180.00 1.47853 0.14 12 12 0 o 4024.068 3860.300 0.00 1.47853 1.66 15 3 7 o 2.314 2.042 180.00 1.49154 0.00 15 7 3 o 44.935 39.655 0.00 1.49154 0.04 11 9 9 o 116.635 102.931 0.00 1.49154 0.10 12 10 6 o 1741.616 1724.216 180.00 1.49951 1.44 12 6 10 o 1112.091 1100.982 180.00 1.49951 0.92 15 5 5 o 693.411 677.236 180.00 1.51308 0.58 13 5 9 o 0.176 0.172 180.00 1.51308 0.00 13 9 5 o 227.627 222.317 180.00 1.51308 0.19 15 1 7 o 33.743 32.956 180.00 1.51308 0.03 15 7 1 o 55.773 54.472 180.00 1.51308 0.05 16 2 4 o 184.189 174.479 180.00 1.51033 0.15 16 4 2 o 31.072 29.434 180.00 1.51033 0.03 14 8 4 o 0.031 0.029 0.00 1.51033 0.00 14 4 8 o 34.178 32.376 0.00 1.51033 0.03 16 4 0 o 70.486 69.422 180.00 1.52140 0.03 16 0 4 o 39.931 39.328 0.00 1.52140 0.02 12 8 8 o 2095.398 2063.771 0.00 1.52140 1.74 14 6 6 o 0.021 0.022 0.00 1.53271 0.00 13 7 7 o 130.007 132.657 180.00 1.53558 0.11 11 11 5 o 4657.437 4752.365 180.00 1.53558 3.89 14 8 2 o 1.306 1.438 180.00 1.54428 0.00 10 10 8 o 539.064 593.519 0.00 1.54428 0.45 16 2 2 o 254.118 279.788 0.00 1.54428 0.21 14 2 8 o 132.417 145.793 180.00 1.54428 0.11 12 4 10 o 10.236 10.518 0.00 1.55611 0.01 12 10 4 o 58.768 60.387 180.00 1.55611 0.05 15 5 3 o 1030.381 1062.194 0.00 1.55911 0.87 15 3 5 o 1068.479 1101.468 0.00 1.55911 0.90 13 3 9 o 130.046 134.061 180.00 1.55911 0.11 13 9 3 o 108.807 112.166 180.00 1.55911 0.09 16 0 0 o 5833.373 5901.200 0.00 1.56822 1.23 13 9 1 o 125.258 126.183 180.00 1.58376 0.11 15 1 5 o 128.223 129.170 0.00 1.58376 0.11 11 7 9 o 676.987 681.985 0.00 1.58376 0.57 15 5 1 o 71.004 71.529 0.00 1.58376 0.06 11 9 7 o 392.326 395.222 0.00 1.58376 0.33 11 11 3 o 4.610 4.644 0.00 1.58376 0.00 13 1 9 o 145.316 146.388 180.00 1.58376 0.12 14 6 4 o 73.937 85.252 0.00 1.59331 0.06 12 2 10 o 124.060 143.046 180.00 1.59331 0.11 12 10 2 o 84.583 97.528 180.00 1.59331 0.07 14 4 6 o 30.488 35.154 0.00 1.59331 0.03 15 3 3 o 0.194 0.190 180.00 1.60962 0.00 9 9 9 o 796.619 777.853 0.00 1.60962 0.23 13 7 5 o 209.743 204.802 0.00 1.60962 0.18 13 5 7 o 268.326 262.004 0.00 1.60962 0.23 11 11 1 o 1740.272 1699.277 0.00 1.60962 1.49 12 6 8 o 146.141 141.891 0.00 1.60632 0.13 12 8 6 o 47.639 46.254 0.00 1.60632 0.04 10 10 6 o 561.325 568.404 180.00 1.63332 0.49 14 6 2 o 2189.155 2216.760 0.00 1.63332 1.90 14 2 6 o 2340.321 2369.838 0.00 1.63332 2.03 15 3 1 o 13.778 13.426 0.00 1.63679 0.01 15 1 3 o 27.081 26.389 0.00 1.63679 0.02 14 0 6 o 14.467 13.503 0.00 1.64734 0.01 14 6 0 o 9.137 8.528 0.00 1.64734 0.00 14 4 4 o 751.430 721.850 0.00 1.66173 0.66 10 8 8 o 417.368 400.938 0.00 1.66173 0.37 11 5 9 o 29.931 26.966 0.00 1.66538 0.03 13 7 3 o 251.562 226.649 0.00 1.66538 0.22 13 3 7 o 257.607 232.096 0.00 1.66538 0.23 11 9 5 o 16.107 14.512 180.00 1.66538 0.01 15 1 1 o 0.020 0.018 0.00 1.66538 0.00 12 8 4 o 868.666 803.668 180.00 1.67650 0.77 12 4 8 o 406.361 375.954 180.00 1.67650 0.36 13 5 5 o 16.254 15.011 180.00 1.69553 0.01 13 7 1 o 59.775 55.205 0.00 1.69553 0.05 13 1 7 o 84.526 78.063 0.00 1.69553 0.08 11 7 7 o 1.570 1.450 180.00 1.69553 0.00 10 10 4 o 182.816 168.006 180.00 1.70726 0.17 14 2 4 o 99.128 91.098 180.00 1.70726 0.09 12 6 6 o 152.051 139.733 0.00 1.70726 0.14 14 4 2 o 8.055 7.402 180.00 1.70726 0.01 12 8 2 o 456.101 464.029 180.00 1.72329 0.42 12 2 8 o 177.201 180.281 180.00 1.72329 0.16 11 9 3 o 3886.918 3839.178 180.00 1.72737 3.56 9 9 7 o 4.475 4.420 0.00 1.72737 0.00 11 3 9 o 3172.386 3133.424 180.00 1.72737 2.91 12 8 0 o 178.797 199.013 0.00 1.73978 0.08 12 0 8 o 76.854 85.543 0.00 1.73978 0.04 11 9 1 o 12.751 14.217 180.00 1.76108 0.01 11 1 9 o 0.001 0.001 0.00 1.76108 0.00 13 3 5 o 100.803 112.387 0.00 1.76108 0.09 13 5 3 o 321.927 358.921 0.00 1.76108 0.30 10 10 2 o 22.182 22.758 180.00 1.75676 0.02 14 2 2 o 33.383 34.250 180.00 1.75676 0.03 10 8 6 o 111.720 113.087 0.00 1.77424 0.11 10 6 8 o 52.746 53.391 0.00 1.77424 0.05 14 0 2 o 116.600 118.027 180.00 1.77424 0.06 10 10 0 o 3621.906 3666.210 180.00 1.77424 1.71 14 2 0 o 497.339 503.423 180.00 1.77424 0.23 11 5 7 o 70.335 73.061 180.00 1.79684 0.07 13 5 1 o 86.584 89.941 180.00 1.79684 0.08 13 1 5 o 66.301 68.871 180.00 1.79684 0.06 11 7 5 o 147.230 152.938 180.00 1.79684 0.14 12 4 6 o 15.407 15.892 180.00 1.79225 0.01 12 6 4 o 5.990 6.179 180.00 1.79225 0.01 8 8 8 o 506.388 561.233 0.00 1.81083 0.16 13 3 3 o 38.308 36.343 0.00 1.83487 0.04 9 9 5 o 1614.573 1531.764 0.00 1.83487 1.59 12 2 6 o 1.640 1.908 0.00 1.84977 0.00 12 6 2 o 36.516 42.485 0.00 1.84977 0.04 9 7 7 o 648.037 675.691 0.00 1.87543 0.66 11 7 3 o 292.229 304.700 0.00 1.87543 0.30 11 3 7 o 269.115 280.600 0.00 1.87543 0.27 13 1 3 o 23.439 24.440 0.00 1.87543 0.02 13 3 1 o 7.926 8.264 180.00 1.87543 0.01 10 8 4 o 24.453 25.259 180.00 1.87021 0.02 10 4 8 o 1.211 1.251 180.00 1.87021 0.00 12 4 4 o 113.989 106.545 180.00 1.89135 0.12 10 6 6 o 71.418 68.731 180.00 1.91321 0.07 11 7 1 o 371.920 380.418 0.00 1.91880 0.39 13 1 1 o 26.856 27.470 180.00 1.91880 0.03 11 5 5 o 490.874 502.090 180.00 1.91880 0.51 11 1 7 o 148.689 152.086 0.00 1.91880 0.16 9 9 3 o 387.606 396.464 0.00 1.91880 0.40 10 8 2 o 783.051 796.402 0.00 1.93585 0.83 10 2 8 o 745.525 758.238 0.00 1.93585 0.79 9 9 1 o 2231.263 2204.867 180.00 1.96532 2.40 8 8 6 o 1193.547 1156.086 0.00 1.95932 1.28 12 4 2 o 795.042 770.089 0.00 1.95932 0.85 12 2 4 o 1133.486 1097.912 0.00 1.95932 1.22 12 0 4 o 336.701 297.533 180.00 1.98366 0.18 12 4 0 o 101.351 89.561 180.00 1.98366 0.06 9 7 5 o 30.770 33.903 180.00 2.01540 0.03 11 5 3 o 4.497 4.954 0.00 2.01540 0.01 9 5 7 o 0.256 0.282 0.00 2.01540 0.00 11 3 5 o 1.471 1.620 180.00 2.01540 0.00 12 2 2 o 741.391 764.998 0.00 2.03519 0.84 10 6 4 o 6.610 6.820 0.00 2.03519 0.01 10 4 6 o 0.104 0.107 0.00 2.03519 0.00 11 1 5 o 133.329 145.308 180.00 2.06951 0.15 11 5 1 o 35.257 38.424 180.00 2.06951 0.04 7 7 7 o 79.970 87.155 0.00 2.06951 0.03 8 8 4 o 546.190 579.041 180.00 2.09096 0.64 12 0 0 o 65.437 69.373 0.00 2.09096 0.02 9 7 3 o 20.637 19.987 180.00 2.12824 0.03 11 3 3 o 7205.161 6978.021 0.00 2.12824 8.73 9 3 7 o 20.855 20.197 180.00 2.12824 0.03 10 2 6 o 372.116 340.786 180.00 2.12062 0.45 10 6 2 o 275.209 252.038 180.00 2.12062 0.33 10 0 6 o 195.502 177.090 180.00 2.15158 0.12 10 6 0 o 18.311 16.587 180.00 2.15158 0.01 8 6 6 o 37.595 34.055 0.00 2.15158 0.05 10 4 4 o 300.077 285.948 0.00 2.18394 0.38 8 8 2 o 2.052 1.956 180.00 2.18394 0.00 9 7 1 o 697.717 669.607 0.00 2.19226 0.89 9 1 7 o 486.720 467.111 0.00 2.19226 0.62 9 5 5 o 33.242 31.902 180.00 2.19226 0.04 11 1 3 o 88.378 84.818 180.00 2.19226 0.11 11 3 1 o 29.372 28.188 180.00 2.19226 0.04 8 8 0 o 11794.739 11763.757 0.00 2.21780 7.62 7 7 5 o 369.872 440.872 0.00 2.26243 0.49 11 1 1 o 34.685 41.343 180.00 2.26243 0.05 10 2 4 o 178.273 189.553 0.00 2.29053 0.24 10 4 2 o 113.285 120.453 0.00 2.29053 0.15 9 3 5 o 380.525 365.072 180.00 2.33980 0.54 9 5 3 o 752.123 721.577 180.00 2.33980 1.06 8 4 6 o 160.493 145.661 180.00 2.32969 0.22 8 6 4 o 181.335 164.578 180.00 2.32969 0.25 7 7 3 o 51.577 59.986 180.00 2.42569 0.08 9 5 1 o 0.018 0.020 0.00 2.42569 0.00 9 1 5 o 41.174 47.887 180.00 2.42569 0.06 10 2 2 o 592.065 608.656 180.00 2.41443 0.88 6 6 6 o 8442.898 8679.484 0.00 2.41443 4.18 8 6 2 o 120.979 114.679 180.00 2.46043 0.19 10 2 0 o 47.273 44.811 0.00 2.46043 0.04 8 2 6 o 124.036 117.576 180.00 2.46043 0.19 10 0 2 o 47.074 44.623 0.00 2.46043 0.04 9 3 3 o 23.589 17.757 180.00 2.52179 0.04 7 7 1 o 19.265 14.502 0.00 2.52179 0.03 7 5 5 o 54.915 41.338 0.00 2.52179 0.09 8 4 4 o 28.417 22.709 0.00 2.56089 0.05 9 1 3 o 118.225 112.008 0.00 2.63031 0.20 9 3 1 o 218.117 206.647 0.00 2.63031 0.37 6 6 4 o 1185.531 1198.945 180.00 2.67477 2.10 9 1 1 o 16.107 15.022 0.00 2.75415 0.03 7 5 3 o 74.645 69.616 0.00 2.75415 0.14 7 3 5 o 105.576 98.463 0.00 2.75415 0.20 8 4 2 o 188.382 162.215 0.00 2.73771 0.35 8 2 4 o 29.071 25.033 0.00 2.73771 0.05 8 0 4 o 565.098 592.849 0.00 2.80532 0.54 8 4 0 o 348.343 365.449 0.00 2.80532 0.34 6 6 2 o 16.604 19.412 180.00 2.87820 0.03 7 1 5 o 48.775 50.118 0.00 2.89732 0.10 5 5 5 o 8965.002 9211.827 180.00 2.89732 6.09 7 5 1 o 57.236 58.813 0.00 2.89732 0.12 8 2 2 o 269.586 280.483 0.00 2.95707 0.57 6 6 0 o 827.114 860.546 0.00 2.95707 0.87 6 4 4 o 21.319 19.914 180.00 3.04280 0.05 7 3 3 o 447.026 459.829 180.00 3.06542 1.01 8 0 0 o 19.269 19.330 0.00 3.13644 0.01 5 5 3 o 3.741 2.414 180.00 3.26664 0.01 7 3 1 o 0.006 0.004 180.00 3.26664 0.00 7 1 3 o 0.253 0.163 0.00 3.26664 0.00 6 2 4 o 1519.931 1448.065 180.00 3.35300 4.04 6 4 2 o 1148.542 1094.237 180.00 3.35300 3.06 7 1 1 o 42.723 50.464 180.00 3.51352 0.12 5 5 1 o 79.445 93.841 0.00 3.51352 0.23 4 4 4 o 75.112 65.451 180.00 3.62165 0.08 5 3 3 o 3014.115 2961.692 180.00 3.82642 10.27 6 2 2 o 68.096 71.613 180.00 3.78269 0.23 6 0 2 o 142.589 131.946 0.00 3.96732 0.26 6 2 0 o 0.065 0.060 0.00 3.96732 0.00 4 4 2 o 150.835 149.416 180.00 4.18192 0.61 5 1 3 o 107.217 103.817 0.00 4.24124 0.44 5 3 1 o 0.020 0.019 180.00 4.24124 0.00 4 4 0 o 1406.031 1490.916 180.00 4.43560 3.17 3 3 3 o 24.153 24.082 0.00 4.82887 0.04 5 1 1 o 207.692 207.082 0.00 4.82887 1.10 4 2 2 o 3.232 2.540 0.00 5.12179 0.02 3 3 1 o 1797.103 1793.747 180.00 5.75639 13.45 4 0 0 o 1.096 1.629 0.00 6.27288 0.00 3 1 1 o 777.209 773.454 0.00 7.56538 9.95 2 2 2 o 53.044 64.954 180.00 7.24330 0.21 2 2 0 o 1511.763 1488.100 0.00 8.87120 13.27