#------------------------------------------------------------------------------ #$Date: 2025-07-01 14:04:12 +0300 (Tue, 01 Jul 2025) $ #$Revision: 1179 $ #$URL: svn://localhost/testcod/cif/4/00/00/4000009.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_4000009 loop_ _publ_author_name 'Turrina, Alessandro' 'Garcia, Raquel' 'Cox, Paul A.' 'Casci, John L.' 'Wright, Paul A.' _publ_section_title ; Retrosynthetic Co-Templating Method for the Preparation of Silicoaluminophosphate Molecular Sieves ; _journal_issue 14 _journal_name_full 'Chemistry of Materials' _journal_page_first 4998 _journal_page_last 5012 _journal_paper_doi 10.1021/acs.chemmater.6b01676 _journal_volume 28 _journal_year 2016 _chemical_formula_moiety 'Al54 P40.5 Si13.5 O216' _chemical_formula_sum 'Al O4 P0.75 Si0.25' _chemical_formula_weight 121.23 _chemical_name_common 'SAPO SFW calcined dehydrated(trimethylamine,diDABCO-C6)' _space_group_IT_number 148 _space_group_name_Hall '-R 3' _space_group_name_H-M_alt 'R -3 :H' _symmetry_cell_setting trigonal _symmetry_space_group_name_Hall '-R 3' _symmetry_space_group_name_H-M 'R -3 :H' _audit_creation_date 2015-02-08T13:53 _audit_creation_method 'from EXP file using GSAS2CIF' _audit_update_record ' 2015-02-08T13:53 Initial CIF as created by GSAS2CIF' _cell_angle_alpha 90.0 _cell_angle_beta 90.0 _cell_angle_gamma 120.0 _cell_formula_units_Z 54 _cell_length_a 13.79540(18) _cell_length_b 13.7954 _cell_length_c 44.6461(15) _cell_measurement_temperature 295 _cell_volume 7358.4(3) _computing_structure_refinement GSAS _diffrn_ambient_temperature 295 _diffrn_detector 'Linear PSD' _diffrn_radiation_polarisn_ratio 0.55 _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 1.54056 _diffrn_source X-ray _exptl_absorpt_coefficient_mu 5.202 _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. ; _exptl_crystal_density_diffrn 1.477 _exptl_crystal_F_000 3226.5 _pd_block_id 2015-02-08T13:53|SAPO-SFW_calcined_(diDABCO-C6)|A_Turrina|Stoe_STADI_P01 _pd_calc_method 'Rietveld Refinement' _pd_char_colour white _pd_instr_location ' ?' _pd_meas_2theta_range_inc 0.01 _pd_meas_2theta_range_max 79.99 _pd_meas_2theta_range_min 3.0 _pd_meas_number_of_points 7700 _pd_phase_name 'from C:/gsas/PhD/SAPO-SFW/SFW_calc2/SAPO SFW_calcined.cif' _pd_proc_2theta_range_inc 0.01 _pd_proc_2theta_range_max 79.99 _pd_proc_2theta_range_min 3.0 _pd_proc_info_datetime 2015-02-08T13:53:01 _pd_proc_info_excluded_regions ' ?' _pd_proc_ls_background_function ; GSAS Background function number 1 with 30 terms. Shifted Chebyshev function of 1st kind 1: 467.429 2: -331.169 3: 89.7014 4: 16.7791 5: -3.25076 6: -104.646 7: 131.439 8: -85.6403 9: 17.6546 10: 23.2579 11: -9.56130 12: -35.8197 13: 59.6009 14: -55.3147 15: 29.8344 16: -0.278517 17: -12.2474 18: 7.99585 19: 5.62147 20: -11.0796 21: -2.20371 22: 15.7130 23: -17.8348 24: 9.00735 25: 0.119234 26: -7.14369 27: 6.35353 28: -6.21535 29: 0.269281 30: 0.509806 ; _pd_proc_ls_peak_cutoff 0.00100 _pd_proc_ls_profile_function ; CW Profile function number 4 with 16 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. Microstrain broadening by P.W. Stephens, (1999). J. Appl. Cryst.,32,281-289. #1(GU) = 451.919 #2(GV) = 52.760 #3(GW) = 15.069 #4(GP) = 0.000 #5(LX) = 5.475 #6(ptec) = 0.00 #7(trns) = 0.00 #8(shft) = -4.0030 #9(sfec) = 0.00 #10(S/L) = 0.0234 #11(H/L) = 0.0294 #12(eta) = 0.0000 #13(S400 ) = 0.0E+00 #14(S004 ) = 1.2E-03 #15(S202 ) = -2.3E-03 #16(S310 ) = 1.4E-03 #17(S211 ) = 0.0E+00 Peak tails are ignored where the intensity is below 0.0010 times the peak Aniso. broadening axis 0.0 0.0 1.0 ; _pd_proc_ls_prof_R_factor 0.0447 _pd_proc_ls_prof_wR_expected 0.0361 _pd_proc_ls_prof_wR_factor 0.0574 _pd_proc_number_of_points 7700 _pd_spec_mounting ' ?' _refine_ls_goodness_of_fit_all 1.64 _refine_ls_matrix_type full _refine_ls_number_parameters 90 _refine_ls_number_restraints 60 _refine_ls_R_Fsqd_factor 0.04869 _refine_ls_shift/su_max 0.05 _refine_ls_shift/su_mean 0.01 _reflns_d_resolution_high 1.200 _reflns_d_resolution_low 14.882 _reflns_limit_h_max 11 _reflns_limit_h_min 0 _reflns_limit_k_max 5 _reflns_limit_k_min -5 _reflns_limit_l_max 37 _reflns_limit_l_min -38 _reflns_number_total 1007 _cod_data_source_file cm6b01676_si_001.cif _cod_data_source_block SAPO-SFW(C6)_calcined_publ _cod_original_cell_volume 7358.40(24) _cod_original_sg_symbol_H-M 'R -3' _cod_database_code 4000009 _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 -y,x-y,+z 3 y-x,-x,+z -1 -x,-y,-z -2 +y,y-x,-z -3 x-y,+x,-z 101 +x+1/3,+y+2/3,+z+2/3 102 -y+1/3,x-y+2/3,+z+2/3 103 y-x+1/3,-x+2/3,+z+2/3 -101 -x+2/3,-y+1/3,-z+1/3 -102 +y+2/3,y-x+1/3,-z+1/3 -103 x-y+2/3,+x+1/3,-z+1/3 201 +x+2/3,+y+1/3,+z+1/3 202 -y+2/3,x-y+1/3,+z+1/3 203 y-x+2/3,-x+1/3,+z+1/3 -201 -x+1/3,-y+2/3,-z+2/3 -202 +y+1/3,y-x+2/3,-z+2/3 -203 x-y+1/3,+x+2/3,-z+2/3 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 Al Al1 0.9977(6) 0.2269(6) 0.25607(18) 1.0 Uiso 0.0267(7) 18 Al Al2 0.2279(6) 0.9999(5) 0.81208(19) 1.0 Uiso 0.0267(7) 18 Al Al3 0.0003(6) 0.2233(5) 0.03477(20) 1.0 Uiso 0.0267(7) 18 O O1 0.2595(9) 0.9975(9) 0.77505(14) 1.0 Uiso 0.0289(12) 18 O O2 0.9942(9) 0.2585(8) 0.21904(13) 1.0 Uiso 0.0289(12) 18 O O3 0.1239(5) 0.2385(6) 0.26493(25) 1.0 Uiso 0.0289(12) 18 O O4 0.8916(4) 0.0891(6) 0.26278(21) 1.0 Uiso 0.0289(12) 18 O O5 0.3060(6) 0.9788(5) 0.72242(22) 1.0 Uiso 0.0289(12) 18 O O6 0.9731(7) 0.3141(7) 0.27848(21) 1.0 Uiso 0.0289(12) 18 O O7 0.9080(5) 0.1080(5) 0.18036(24) 1.0 Uiso 0.0289(12) 18 O O8 0.9850(7) 0.3113(7) 0.16674(23) 1.0 Uiso 0.0289(12) 18 O O9 0.1130(4) 0.2404(6) 0.17852(21) 1.0 Uiso 0.0289(12) 18 O O10 -0.0016(8) 0.2479(10) -0.00279(11) 1.0 Uiso 0.0289(12) 18 O O11 0.1295(5) 0.2456(5) 0.04587(21) 1.0 Uiso 0.0289(12) 18 O O12 0.8958(4) 0.0867(5) 0.04316(25) 1.0 Uiso 0.0289(12) 18 P P1 0.23085(18) 1.00422(18) 0.74245(18) 0.75 Uiso 0.0267(7) 18 P P2 1.00220(17) 0.23210(17) 0.18617(17) 0.75 Uiso 0.0267(7) 18 P P3 0.22758(18) 0.00421(18) 0.96382(18) 0.75 Uiso 0.0267(7) 18 Si Si1 0.23085(18) 1.00422(18) 0.74245(18) 0.25 Uiso 0.0267(7) 18 Si Si2 1.00220(17) 0.23210(17) 0.18617(17) 0.25 Uiso 0.0267(7) 18 Si Si3 0.22758(18) 0.00421(18) 0.96382(18) 0.25 Uiso 0.0267(7) 18 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 Al 54.0 0.000 0.000 6.42020 3.03870 1.90020 0.74260 1.59360 31.5472 1.96460 85.0886 1.11510 International_Tables_Vol_C O 216.0 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 P 40.5 0.000 0.000 6.43450 1.90670 4.17910 27.1570 1.78000 0.52600 1.49080 68.1645 1.11490 International_Tables_Vol_C Si 13.5 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 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 O2 Al1 O3 110.8(6) 1_555 . 1_655 N O2 Al1 O4 109.1(5) 1_555 . 1_555 N O2 Al1 O6 109.9(5) 1_555 . 1_555 N O3 Al1 O4 108.8(5) 1_655 . 1_555 N O3 Al1 O6 110.3(5) 1_655 . 1_555 N O4 Al1 O6 108.0(5) 1_555 . 1_555 N O1 Al2 O7 110.2(5) 1_555 . -1_666 N O1 Al2 O8 108.5(5) 1_555 . 101_455 N O1 Al2 O9 110.9(6) 1_555 . -2_566 N O7 Al2 O8 108.0(5) -1_666 . 101_455 N O7 Al2 O9 109.8(7) -1_666 . -2_566 N O8 Al2 O9 109.5(6) 101_455 . -2_566 N O5 Al3 O10 111.0(5) 201_444 . 1_555 N O5 Al3 O11 107.0(5) 201_444 . 1_555 N O5 Al3 O12 107.0(5) 201_444 . 1_455 N O10 Al3 O11 111.3(6) 1_555 . 1_555 N O10 Al3 O12 109.7(6) 1_555 . 1_455 N O11 Al3 O12 110.7(5) 1_555 . 1_455 N Al2 O1 P1 147.6(7) 1_555 . 1_555 N Al2 O1 Si1 147.6(7) 1_555 . 1_555 N P1 O1 Si1 0.0 1_555 . 1_555 N Al1 O2 P2 148.1(7) 1_555 . 1_555 N Al1 O2 Si2 148.1(7) 1_555 . 1_555 N P2 O2 Si2 0.0 1_555 . 1_555 N Al1 O3 P1 152.8(7) 1_455 . -3_656 N Al1 O3 Si1 152.8(7) 1_455 . -3_656 N P1 O3 Si1 0.0 -3_656 . -3_656 N Al1 O4 P1 148.3(6) 1_555 . -1_666 N Al1 O4 Si1 148.3(6) 1_555 . -1_666 N P1 O4 Si1 0.0 -1_666 . -1_666 N Al3 O5 P1 152.9(5) 101_555 . 1_555 N Al3 O5 Si1 152.9(5) 101_555 . 1_555 N P1 O5 Si1 0.0 1_555 . 1_555 N Al1 O6 P3 150.9(6) 1_555 . 201_554 N Al1 O6 Si3 150.9(6) 1_555 . 201_554 N P3 O6 Si3 0.0 201_554 . 201_554 N Al2 O7 P2 148.0(6) -1_666 . 1_555 N Al2 O7 Si2 148.0(6) -1_666 . 1_555 N P2 O7 Si2 0.0 1_555 . 1_555 N Al2 O8 P2 147.4(6) 201_544 . 1_555 N Al2 O8 Si2 147.4(6) 201_544 . 1_555 N P2 O8 Si2 0.0 1_555 . 1_555 N Al2 O9 P2 151.5(7) -3_656 . 1_455 N Al2 O9 Si2 151.5(7) -3_656 . 1_455 N P2 O9 Si2 0.0 1_455 . 1_455 N Al3 O10 P3 156.0(10) 1_555 . 2_554 N Al3 O10 Si3 156.0(10) 1_555 . 2_554 N P3 O10 Si3 0.0 2_554 . 2_554 N Al3 O11 P3 142.1(6) 1_555 . -3_556 N Al3 O11 Si3 142.1(6) 1_555 . -3_556 N P3 O11 Si3 0.0 -3_556 . -3_556 N Al3 O12 P3 143.6(6) 1_655 . -1_656 N Al3 O12 Si3 143.6(6) 1_655 . -1_656 N P3 O12 Si3 0.0 -1_656 . -1_656 N O1 P1 O3 112.4(7) 1_555 . -2_566 N O1 P1 O4 107.6(5) 1_555 . -1_666 N O1 P1 O5 108.5(5) 1_555 . 1_555 N O3 P1 O4 107.7(5) -2_566 . -1_666 N O3 P1 O5 112.9(5) -2_566 . 1_555 N O4 P1 O5 107.6(5) -1_666 . 1_555 N O2 P2 O7 107.5(5) 1_555 . 1_555 N O2 P2 O8 108.9(5) 1_555 . 1_555 N O2 P2 O9 112.9(6) 1_555 . 1_655 N O7 P2 O8 110.6(5) 1_555 . 1_555 N O7 P2 O9 107.4(4) 1_555 . 1_655 N O8 P2 O9 109.6(4) 1_555 . 1_655 N O6 P3 O10 110.9(6) 101_445 . 3_556 N O6 P3 O11 106.9(5) 101_445 . -2_556 N O6 P3 O12 109.1(6) 101_445 . -1_656 N O10 P3 O11 111.9(5) 3_556 . -2_556 N O10 P3 O12 109.0(4) 3_556 . -1_656 N O11 P3 O12 108.8(4) -2_556 . -1_656 N O1 Si1 O3 112.4(7) 1_555 . -2_566 N O1 Si1 O4 107.6(5) 1_555 . -1_666 N O1 Si1 O5 108.5(5) 1_555 . 1_555 N O3 Si1 O4 107.7(5) -2_566 . -1_666 N O3 Si1 O5 112.9(5) -2_566 . 1_555 N O4 Si1 O5 107.6(5) -1_666 . 1_555 N O2 Si2 O7 107.5(5) 1_555 . 1_555 N O2 Si2 O8 108.9(5) 1_555 . 1_555 N O2 Si2 O9 112.9(6) 1_555 . 1_655 N O7 Si2 O8 110.6(5) 1_555 . 1_555 N O7 Si2 O9 107.4(4) 1_555 . 1_655 N O8 Si2 O9 109.6(4) 1_555 . 1_655 N O6 Si3 O10 110.9(6) 101_445 . 3_556 N O6 Si3 O11 106.9(5) 101_445 . -2_556 N O6 Si3 O12 109.1(6) 101_445 . -1_656 N O10 Si3 O11 111.9(5) 3_556 . -2_556 N O10 Si3 O12 109.0(4) 3_556 . -1_656 N O11 Si3 O12 108.8(4) -2_556 . -1_656 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 Al1 O2 1.717(7) . 1_555 N Al1 O3 1.713(7) . 1_655 N Al1 O4 1.750(7) . 1_555 N Al1 O6 1.724(7) . 1_555 N Al2 O1 1.714(7) . 1_555 N Al2 O7 1.747(7) . -1_666 N Al2 O8 1.713(7) . 101_455 N Al2 O9 1.731(9) . -2_566 N Al2 Si1 3.109(10) . 1_555 N Al2 Si2 3.088(8) . 101_455 N Al3 O5 1.729(7) . 201_444 N Al3 O10 1.714(7) . 1_555 N Al3 O11 1.723(7) . 1_555 N Al3 O12 1.747(7) . 1_455 N Al3 P3 3.049(7) . -3_556 N Al3 Si3 3.049(7) . -3_556 N O1 Al2 1.714(7) . 1_555 N O1 P1 1.523(7) . 1_555 N O1 Si1 1.523(7) . 1_555 N O2 Al1 1.717(7) . 1_555 N O2 P2 1.529(7) . 1_555 N O2 Si2 1.529(7) . 1_555 N O3 Al1 1.713(7) . 1_455 N O3 P1 1.509(7) . -3_656 N O3 Si1 1.509(7) . -3_656 N O4 Al1 1.750(7) . 1_555 N O4 P1 1.546(5) . -1_666 N O4 Si1 1.546(5) . -1_666 N O5 Al3 1.729(7) . 101_555 N O5 P1 1.537(6) . 1_555 N O5 Si1 1.537(6) . 1_555 N O6 Al1 1.724(7) . 1_555 N O6 P3 1.528(6) . 201_554 N O6 Si3 1.528(6) . 201_554 N O7 Al2 1.747(7) . -1_666 N O7 P2 1.569(5) . 1_555 N O7 Si2 1.569(5) . 1_555 N O8 Al2 1.713(7) . 201_544 N O8 P2 1.504(6) . 1_555 N O8 Si2 1.504(6) . 1_555 N O9 Al2 1.731(9) . -3_656 N O9 P2 1.514(5) . 1_455 N O9 Si2 1.514(5) . 1_455 N O10 Al3 1.714(7) . 1_555 N O10 P3 1.525(8) . 2_554 N O10 Si3 1.525(8) . 2_554 N O11 Al3 1.723(7) . 1_555 N O11 P3 1.500(8) . -3_556 N O11 Si3 1.500(8) . -3_556 N O12 Al3 1.747(7) . 1_655 N O12 P3 1.560(6) . -1_656 N O12 Si3 1.560(6) . -1_656 N P1 O1 1.523(7) . 1_555 N P1 O3 1.509(7) . -2_566 N P1 O4 1.546(5) . -1_666 N P1 O5 1.537(6) . 1_555 N P2 O2 1.529(7) . 1_555 N P2 O7 1.569(5) . 1_555 N P2 O8 1.504(6) . 1_555 N P2 O9 1.514(5) . 1_655 N P3 Al3 3.049(7) . -2_556 N P3 O6 1.528(6) . 101_445 N P3 O10 1.525(8) . 3_556 N P3 O11 1.500(8) . -2_556 N P3 O12 1.560(6) . -1_656 N Si1 Al2 3.109(10) . 1_555 N Si1 O1 1.523(7) . 1_555 N Si1 O3 1.509(7) . -2_566 N Si1 O4 1.546(5) . -1_666 N Si1 O5 1.537(6) . 1_555 N Si2 Al2 3.088(8) . 201_544 N Si2 O2 1.529(7) . 1_555 N Si2 O7 1.569(5) . 1_555 N Si2 O8 1.504(6) . 1_555 N Si2 O9 1.514(5) . 1_655 N Si3 Al3 3.049(7) . -2_556 N Si3 O6 1.528(6) . 101_445 N Si3 O10 1.525(8) . 3_556 N Si3 O11 1.500(8) . -2_556 N Si3 O12 1.560(6) . -1_656 N loop_ _pd_meas_counts_total _pd_proc_ls_weight _pd_proc_intensity_bkg_calc _pd_calc_intensity_total 3444.0 0.0 3715.88281 . 3370.0 0.0 3656.68213 . 3368.0 0.0 3598.86035 . 3253.0 0.0 3542.38745 . 3277.0 0.0 3487.23486 . 3240.0 0.0 3433.36938 . 3201.0 0.0 3380.76294 . 3040.0 0.0 3329.38818 . 3055.0 0.0 3279.20972 . 3069.0 0.0 3230.20630 . 3005.0 0.0 3182.34790 . 2946.0 0.0 3135.60815 . 3018.0 0.0 3089.95972 . 2989.0 0.0 3045.37549 . 2992.0 0.0 3001.83423 . 2859.0 0.0 2959.30688 . 2870.0 0.0 2917.77246 . 2864.0 0.0 2877.20557 . 2907.0 0.0 2837.58398 . 2742.0 0.0 2798.88306 . 2807.0 0.0 2761.08252 . 2740.0 0.0 2724.15967 . 2659.0 0.0 2688.09131 . 2640.0 0.0 2652.85864 . 2768.0 0.0 2618.44189 . 2687.0 0.0 2584.81714 . 2683.0 0.0 2551.97021 . 2633.0 0.0 2519.87744 . 2578.0 0.0 2488.52051 . 2538.0 0.0 2457.88379 . 2466.0 0.0 2427.94531 . 2420.0 0.0 2398.69189 . 2463.0 0.0 2370.10278 . 2401.0 0.0 2342.16235 . 2324.0 0.0 2314.85376 . 2329.0 0.0 2288.16162 . 2380.0 0.0 2262.07007 . 2324.0 0.0 2236.56274 . 2325.0 0.0 2211.62549 . 2222.0 0.0 2187.24243 . 2240.0 0.0 2163.40112 . 2210.0 0.0 2140.08521 . 2157.0 0.0 2117.28320 . 2159.0 0.0 2094.97949 . 2251.0 0.0 2073.16309 . 2162.0 0.0 2051.81860 . 2203.0 0.0 2030.93652 . 2151.0 0.0 2010.50244 . 2061.0 0.0 1990.50476 . 2036.0 0.0 1970.93188 . 2049.0 0.0 1951.77234 . 1945.0 0.0 1933.01550 . 2062.0 0.0 1914.65076 . 1993.0 0.0 1896.66565 . 1935.0 0.0 1879.05225 . 1986.0 0.0 1861.79797 . 1931.0 0.0 1844.89587 . 1961.0 0.0 1828.33398 . 1915.0 0.0 1812.10352 . 1904.0 0.0 1796.19617 . 1844.0 0.0 1780.60217 . 1882.0 0.0 1765.31274 . 1851.0 0.0 1750.31970 . 1847.0 0.0 1735.61365 . 1818.0 0.0 1721.18958 . 1784.0 0.0 1707.03650 . 1745.0 0.0 1693.14844 . 1824.0 0.0 1679.51782 . 1791.0 0.0 1666.13647 . 1789.0 0.0 1652.99780 . 1658.0 0.0 1640.09460 . 1759.0 0.0 1627.42175 . 1675.0 0.0 1614.97070 . 1638.0 0.0 1602.73572 . 1682.0 0.0 1590.71130 . 1664.0 0.0 1578.89087 . 1669.0 0.0 1567.26855 . 1600.0 0.0 1555.83899 . 1675.0 0.0 1544.59595 . 1549.0 0.0 1533.53503 . 1565.0 0.0 1522.64990 . 1550.0 0.0 1511.93628 . 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1750.90210 1813.0 0.000552 1048.41003 1854.42871 2024.0 0.000494 1048.52222 1973.22058 2186.0 0.000457 1048.62866 2108.63818 2186.0 0.000457 1048.72913 2261.89111 2505.0 0.000399 1048.82385 2433.94019 2671.0 0.000374 1048.91272 2625.36401 2929.0 0.0003414 1048.99573 2836.17212 3048.0 0.0003281 1049.07300 3065.61475 3351.0 0.0002984 1049.14441 3312.02271 3629.0 0.0002756 1049.20996 3572.69336 3764.0 0.0002657 1049.26965 3843.78979 4147.0 0.0002411 1049.32361 4120.22607 4252.0 0.0002352 1049.37183 4395.59375 4603.0 0.0002172 1049.41406 4662.21094 4693.0 0.0002131 1049.45068 4911.30664 5065.0 0.0001974 1049.48145 5133.31201 5146.0 0.0001943 1049.50647 5318.20410 5461.0 0.0001831 1049.52563 5456.02002 5332.0 0.0001875 1049.53906 5537.61768 5566.0 0.0001797 1049.54675 5555.71875 5477.0 0.0001826 1049.54871 5506.12451 5488.0 0.0001822 1049.54492 5388.84766 5235.0 0.0001910 1049.53528 5208.71484 5051.0 0.0001980 1049.52002 4975.04150 4627.0 0.0002161 1049.49890 4700.32422 4373.0 0.0002287 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1436.85303 1631.0 0.000613 512.87311 1528.44690 1699.0 0.000589 512.59283 1622.38110 1798.0 0.000556 512.31293 1716.97363 1870.0 0.000535 512.03339 1810.31128 1962.0 0.000510 511.75421 1900.29114 2007.0 0.000498 511.47540 1985.49438 2103.0 0.000476 511.19696 2062.02539 2203.0 0.000454 510.91888 2128.45898 2173.0 0.000460 510.64114 2182.74414 2191.0 0.000456 510.36380 2223.14575 2215.0 0.000451 510.08679 2248.40405 2271.0 0.000440 509.81009 2257.88574 2312.0 0.000433 509.53375 2251.70215 2291.0 0.000436 509.25772 2230.74780 2164.0 0.000462 508.98203 2196.64404 2145.0 0.000466 508.70667 2151.57715 2074.0 0.000482 508.43164 2098.07349 1985.0 0.000504 508.15692 2038.76465 1948.0 0.000513 507.88260 1975.89514 1856.0 0.000539 507.60849 1912.29358 1832.0 0.000546 507.33472 1849.57605 1771.0 0.000565 507.06125 1789.22632 1627.0 0.000615 506.78809 1732.29285 1577.0 0.000634 506.51523 1679.39124 1534.0 0.000652 506.24261 1630.72644 1481.0 0.000675 505.97037 1586.12842 1424.0 0.000702 505.69839 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498.18546 619.41644 658.0 0.001520 497.92035 610.55438 602.0 0.001661 497.65540 602.79510 635.0 0.001575 497.39066 595.98230 670.0 0.001493 497.12610 589.98645 576.0 0.001736 496.86176 584.70166 589.0 0.001698 496.59753 580.67084 600.0 0.001667 496.33356 576.57153 592.0 0.001689 496.06967 572.97150 599.0 0.001669 495.80600 569.82599 551.0 0.001815 495.54248 567.09875 620.0 0.001613 495.27914 564.76019 625.0 0.001600 495.01596 562.78638 575.0 0.001739 494.75293 561.15759 606.0 0.001650 494.49008 559.85693 586.0 0.001706 494.22736 558.87067 582.0 0.001718 493.96481 558.18903 626.0 0.001597 493.70239 557.80615 592.0 0.001689 493.44012 557.72009 587.0 0.001704 493.17798 557.93677 580.0 0.001724 492.91599 558.46942 564.0 0.001773 492.65411 559.34216 578.0 0.001730 492.39246 560.59192 556.0 0.001799 492.13086 562.27209 612.0 0.001634 491.86938 564.45752 594.0 0.001684 491.60806 567.24548 578.0 0.001730 491.34689 570.76526 603.0 0.001658 491.08578 575.18146 612.0 0.001634 490.82483 580.69983 629.0 0.001590 490.56400 587.57336 582.0 0.001718 490.30331 596.10858 643.0 0.001555 490.04269 606.67004 594.0 0.001684 489.78220 619.68292 692.0 0.001445 489.52182 635.63464 713.0 0.001403 489.26151 655.07098 750.0 0.001333 489.00131 678.58990 766.0 0.001305 488.74124 706.84906 827.0 0.001209 488.48126 740.46588 845.0 0.001183 488.22137 780.11359 887.0 0.001127 487.96164 826.40869 918.0 0.001089 487.70197 879.89050 1051.0 0.000951 487.44235 940.97699 1056.0 0.000947 487.18280 1009.91510 1135.0 0.000881 486.92340 1086.72778 1216.0 0.000822 486.66406 1171.16382 1229.0 0.000814 486.40475 1262.65088 1445.0 0.000692 486.14557 1360.26074 1472.0 0.000679 485.88651 1462.68457 1475.0 0.000678 485.62750 1568.22729 1636.0 0.000611 485.36853 1674.81799 1716.0 0.000583 485.10965 1780.04065 1950.0 0.000513 484.85083 1881.17896 1893.0 0.000528 484.59207 1975.29285 2009.0 0.000498 484.33340 2059.31836 2124.0 0.000471 484.07477 2130.20313 2060.0 0.000485 483.81625 2185.05908 2241.0 0.000446 483.55777 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339.02530 359.0 0.002786 236.48921 337.96228 329.0 0.003040 236.47450 336.68069 334.0 0.002994 236.45894 335.19449 351.0 0.002849 236.44247 333.55667 361.0 0.002770 236.42508 331.71176 344.0 0.002907 236.40678 329.71475 350.0 0.002857 236.38750 327.58490 359.0 0.002786 236.36725 325.34109 324.0 0.003086 236.34601 323.00391 365.0 0.002740 236.32376 320.59164 307.0 0.003257 236.30045 318.12311 305.0 0.003279 236.27609 315.61606 328.0 0.003049 236.25066 313.09009 332.0 0.003012 236.22414 310.57513 328.0 0.003049 236.19647 308.05057 320.0 0.003125 236.16766 305.55014 330.0 0.003030 236.13773 303.08362 294.0 0.003401 236.10660 300.66409 292.0 0.003425 236.07425 298.30038 332.0 0.003012 236.04071 296.01358 272.0 0.00368 236.00594 293.78690 334.0 0.002994 235.96988 291.63751 289.0 0.003460 235.93257 289.57071 316.0 0.003165 235.89397 287.58969 283.0 0.00353 235.85405 285.69696 307.0 0.003257 235.81279 283.89392 262.0 0.00382 235.77017 282.18109 306.0 0.003268 235.72623 280.55774 297.0 0.003367 235.68086 279.02322 278.0 0.00360 235.63409 277.57581 302.0 0.003311 235.58595 276.21332 270.0 0.00370 235.53633 274.93286 277.0 0.00361 235.48524 273.73145 269.0 0.00372 235.43271 272.60574 272.0 0.00368 235.37872 271.55261 295.0 0.003390 235.32318 270.56766 299.0 0.003344 235.26614 269.64786 282.0 0.00355 235.20761 268.78983 298.0 0.003356 235.14749 267.98767 270.0 0.00370 235.08580 267.23773 269.0 0.00372 235.02254 266.53650 270.0 0.00370 234.95775 265.87991 256.0 0.00391 234.89130 265.26389 236.0 0.00424 234.82323 264.68478 274.0 0.00365 234.75352 264.13821 272.0 0.00368 234.68225 263.62088 237.0 0.00422 234.60925 263.12909 271.0 0.00369 234.53462 262.65924 232.0 0.00431 234.45834 262.20798 263.0 0.00380 234.38036 261.77179 250.0 0.00400 234.30064 261.34775 264.0 0.00379 234.21924 260.93298 270.0 0.00370 234.13618 260.52454 231.0 0.00433 234.05135 260.11969 221.0 0.00452 233.96477 259.71613 250.0 0.00400 233.87654 259.31512 253.0 0.00395 233.78648 258.91019 244.0 0.00410 233.69467 258.49814 244.0 0.00410 233.60112 258.08255 252.0 0.00397 233.50586 257.65744 264.0 0.00379 233.40877 257.22443 220.0 0.00455 233.30992 256.78311 262.0 0.00382 233.20935 256.33304 247.0 0.00405 233.10695 255.87421 236.0 0.00424 233.00273 255.40714 281.0 0.00356 232.89676 254.93225 240.0 0.00417 232.78908 254.45050 231.0 0.00433 232.67952 253.96237 249.0 0.00402 232.56818 253.46912 230.0 0.00435 232.45505 252.97200 234.0 0.00427 232.34024 252.47218 254.0 0.00394 232.22356 251.97095 222.0 0.00450 232.10509 251.46925 254.0 0.00394 231.98494 250.96916 250.0 0.00400 231.86293 250.47154 228.0 0.00439 231.73915 249.97794 245.0 0.00408 231.61360 249.48973 259.0 0.00386 231.48640 249.01566 248.0 0.00403 231.35735 248.54224 245.0 0.00408 231.22655 248.07803 233.0 0.00429 231.09413 247.62424 255.0 0.00392 230.95988 247.18184 238.0 0.00420 230.82393 246.75198 261.0 0.00383 230.68628 246.33536 226.0 0.00442 230.54701 245.93320 244.0 0.00410 230.40598 245.54575 226.0 0.00442 230.26329 245.17361 279.0 0.00358 230.11903 244.81752 242.0 0.00413 229.97305 244.47789 238.0 0.00420 229.82544 244.15578 221.0 0.00452 229.67621 243.84982 286.0 0.003497 229.52553 243.56030 205.0 0.00488 229.37315 243.28726 255.0 0.00392 229.21922 243.02521 230.0 0.00435 229.06375 242.78491 240.0 0.00417 228.90691 242.56075 261.0 0.00383 228.74844 242.35547 245.0 0.00408 228.58852 242.16132 239.0 0.00418 228.42726 241.98135 238.0 0.00420 228.26450 241.81465 252.0 0.00397 228.10030 241.66040 242.0 0.00413 227.93474 241.51855 274.0 0.00365 227.76797 241.38680 231.0 0.00433 227.59976 241.26465 249.0 0.00402 227.43027 241.15118 230.0 0.00435 227.25966 241.04543 231.0 0.00433 227.08769 240.94701 202.0 0.00495 226.91452 240.85281 237.0 0.00422 226.74020 240.76271 242.0 0.00413 226.56488 240.67561 259.0 0.00386 226.38832 240.59769 263.0 0.00380 226.21074 240.51295 226.0 0.00442 226.03224 240.42792 226.0 0.00442 225.85265 240.34135 233.0 0.00429 225.67209 240.25356 245.0 0.00408 225.49062 240.16086 235.0 0.00426 225.30843 240.06317 239.0 0.00418 225.12527 239.96106 238.0 0.00420 224.94133 239.85307 209.0 0.00478 224.75664 239.73886 238.0 0.00420 224.57141 239.61914 247.0 0.00405 224.38536 239.49193 242.0 0.00413 224.19873 239.35860 270.0 0.00370 224.01166 239.21901 248.0 0.00403 223.82394 239.08615 261.0 0.00383 223.63576 238.93584 225.0 0.00444 223.44714 238.77400 236.0 0.00424 223.25832 238.61626 235.0 0.00426 223.06902 238.45613 239.0 0.00418 222.87946 238.29518 254.0 0.00394 222.68983 238.13492 227.0 0.00441 222.49989 237.97647 247.0 0.00405 222.30984 237.82169 233.0 0.00429 222.11977 237.67223 242.0 0.00413 221.92981 237.52972 224.0 0.00446 221.73978 237.39600 221.0 0.00452 221.54988 237.27325 233.0 0.00429 221.36028 237.16324 217.0 0.00461 221.17079 237.06795 251.0 0.00398 220.98158 236.98927 234.0 0.00427 220.79272 236.92938 255.0 0.00392 220.60443 236.89066 247.0 0.00405 220.41647 236.87468 216.0 0.00463 220.22905 236.88390 255.0 0.00392 220.04222 236.92029 238.0 0.00420 219.85622 236.98618 252.0 0.00397 219.67078 237.08347 216.0 0.00463 219.48616 237.21405 243.0 0.00412 219.30251 237.39163 246.0 0.00407 219.11966 237.59535 246.0 0.00407 218.93781 237.83914 237.0 0.00422 218.75699 238.12334 258.0 0.00388 218.57745 238.45044 237.0 0.00422 218.39896 238.82202 246.0 0.00407 218.22171 239.23953 229.0 0.00437 218.04594 239.70462 268.0 0.00373 217.87143 240.21823 262.0 0.00382 217.69838 240.78146 234.0 0.00427 217.52687 241.39508 267.0 0.00375 217.35707 242.06006 258.0 0.00388 217.18881 242.77647 271.0 0.00369 217.02232 243.54439 279.0 0.00358 216.85773 244.36421 248.0 0.00403 216.69492 245.23509 251.0 0.00398 216.53403 246.15651 261.0 0.00383 216.37515 247.12741 233.0 0.00429 216.21849 248.14685 256.0 0.00391 216.06386 249.21274 271.0 0.00369 215.91144 250.32318 238.0 0.00420 215.76132 251.47591 281.0 0.00356 215.61366 252.66818 268.0 0.00373 215.46832 253.89694 271.0 0.00369 215.32547 255.15883 253.0 0.00395 215.18527 256.44980 249.0 0.00402 215.04761 257.76575 277.0 0.00361 214.91261 259.10202 253.0 0.00395 214.78036 260.45392 268.0 0.00373 214.65105 261.81561 255.0 0.00392 214.52449 263.18256 277.0 0.00361 214.40088 264.54800 274.0 0.00365 214.28036 265.90637 284.0 0.00352 214.16280 267.25089 279.0 0.00358 214.04836 268.57733 286.0 0.003497 213.93710 269.87704 250.0 0.00400 213.82915 271.14130 264.0 0.00379 213.72440 272.36505 274.0 0.00365 213.62299 273.54218 272.0 0.00368 213.52504 274.66605 275.0 0.00364 213.43045 275.73053 279.0 0.00358 213.33934 276.72958 265.0 0.00377 213.25177 277.65823 276.0 0.00362 213.16783 278.51123 259.0 0.00386 213.08745 279.28607 260.0 0.00385 213.01071 279.97717 293.0 0.003413 212.93767 280.58228 301.0 0.003322 212.86842 281.10025 266.0 0.00376 212.80287 281.52954 260.0 0.00385 212.74112 281.87015 279.0 0.00358 212.68321 282.12344 295.0 0.003390 212.62910 282.29657 310.0 0.003226 212.57886 282.37885 304.0 0.003289 212.53249 282.38004 299.0 0.003344 212.49005 282.30432 278.0 0.00360 212.45148 282.15640 272.0 0.00368 212.41682 281.94162 277.0 0.00361 212.38611 281.66599 260.0 0.00385 212.35928 281.33643 282.0 0.00355 212.33636 280.96060 290.0 0.003448 212.31737 280.54590 259.0 0.00386 212.30226 280.10098 284.0 0.00352 212.29102 279.63492 273.0 0.00366 212.28365 279.15561 278.0 0.00360 212.28009 278.67221 270.0 0.00370 212.28033 278.19412 275.0 0.00364 212.28433 277.72946 259.0 0.00386 212.29205 277.28662 276.0 0.00362 212.30345 276.87387 270.0 0.00370 212.31848 276.49844 286.0 0.003497 212.33707 276.16736 260.0 0.00385 212.35915 275.88681 259.0 0.00386 212.38466 275.66260 237.0 0.00422 212.41353 275.52762 267.0 0.00375 212.44568 275.42984 290.0 0.003448 212.48097 275.40015 276.0 0.00362 212.51938 275.44128 309.0 0.003236 212.56079 275.55496 306.0 0.003268 212.60504 275.74170 263.0 0.00380 212.65202 276.00122 277.0 0.00361 212.70166 276.33328 257.0 0.00389 212.75378 276.73721 280.0 0.00357 212.80823 277.20758 280.0 0.00357 212.86490 277.74347 284.0 0.00352 212.92358 278.33972 264.0 0.00379 212.98416 278.99750 276.0 0.00362 213.04636 279.71274 267.0 0.00375 213.11011 280.46286 283.0 0.00353 213.17517 281.25287 285.0 0.00351 213.24124 282.07629 299.0 0.003344 213.30826 282.92679 328.0 0.003049 213.37589 283.79712 274.0 0.00365 213.44394 284.68073 278.0 0.00360 213.51208 285.57065 283.0 0.00353 213.58015 286.46069 317.0 0.003155 213.64784 287.34418 279.0 0.00358 213.71484 288.21567 299.0 0.003344 213.78084 289.07004 267.0 0.00375 213.84557 289.90222 298.0 0.003356 213.90871 290.70880 280.0 0.00357 213.96982 291.48605 298.0 0.003356 214.02867 292.23212 324.0 0.003086 214.08487 292.94547 306.0 0.003268 214.13799 293.62427 291.0 0.003436 214.18762 294.26828 300.0 0.003333 214.23341 294.87717 310.0 0.003226 214.27492 295.45151 311.0 0.003215 214.31166 295.99133 309.0 0.003236 214.34323 296.49878 276.0 0.00362 214.36913 296.97064 319.0 0.003135 214.38885 297.40851 284.0 0.00352 214.40187 297.77783 260.0 0.00385 214.40770 298.14862 292.0 0.003425 214.40578 298.48441 306.0 0.003268 214.39552 298.78503 314.0 0.003185 214.37637 299.04874 291.0 0.003436 214.34769 299.27112 318.0 0.003145 214.30887 299.45554 297.0 0.003367 214.25929 299.59686 296.0 0.003378 214.19821 299.69370 262.0 0.00382 214.12498 299.74112 296.0 0.003378 214.03889 299.74100 314.0 0.003185 213.93932 299.68271 314.0 0.003185 213.82529 299.56699 290.0 0.003448 213.69614 299.40259 288.0 0.003472 213.55116 299.16479 324.0 0.003086 213.38931 298.87564 248.0 0.00403 213.20985 298.50851 313.0 0.003195 213.01187 298.07693 331.0 0.003021 212.79466 297.57849 296.0 0.003378 212.55696 297.01544 302.0 0.003311 212.29793 296.38940 279.0 0.00358 212.01685 295.70401 310.0 0.003226 211.71223 294.96198 300.0 0.003333 211.38327 294.16840 327.0 0.003058 211.02888 293.32739 292.0 0.003425 210.64822 292.44492 277.0 0.00361 210.23962 291.52609 307.0 0.003257 209.80219 290.57697 277.0 0.00361 209.33505 289.60434 252.0 0.00397 208.83630 288.61295 332.0 0.003012 208.30496 287.60910 283.0 0.00353 207.73976 286.59882 273.0 0.00366 207.13988 285.58752 256.0 0.00391 206.50294 284.57953 287.0 0.003484 205.82803 283.57944 271.0 0.00369 205.11368 282.59216 320.0 0.003125 204.35902 281.62097 263.0 0.00380 203.56134 280.66794 246.0 0.00407 202.71967 279.73615 288.0 0.003472 201.83307 278.82803 283.0 0.00353 200.89854 277.94324 296.0 0.003378 199.91512 277.08301 315.0 0.003175 198.88097 276.24652 287.0 . . . 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 0 0 3 o 1552.109 387.025 180.00 14.88205 0.26 1 0 1 o 324557.97 314446.72 0.00 11.54109 100.00 1 0 -2 o 96220.77 94591.70 180.00 10.53347 24.68 1 0 4 o 385974.1 385907.6 0.00 8.15600 59.17 0 0 6 o 970.974 731.294 180.00 7.44102 0.04 1 0 -5 o 163674.28 171710.56 0.00 7.15232 19.28 1 1 0 o 412920.3 400657.4 180.00 6.89770 45.03 1 1 3 o 776.710 522.580 0.00 6.25817 0.07 1 1 -3 o 658.332 442.828 0.00 6.25817 0.06 2 0 -1 o 78860.49 83798.75 180.00 5.92082 6.33 2 0 2 o 29872.303 30851.719 0.00 5.77055 2.28 1 0 7 o 428.739 140.383 180.00 5.62645 0.03 2 0 -4 o 128518.04 129691.93 180.00 5.26674 8.11 1 0 -8 o 10584.729 12161.288 180.00 5.05632 0.61 0 0 9 o 1160151.4 1197380.9 180.00 4.96068 21.55 1 1 6 o 20.554 24.206 0.00 5.05860 0.00 1 1 -6 o 2.117 2.505 0.00 5.05860 0.00 2 0 5 o 83243.03 85565.07 180.00 4.96499 4.66 2 1 1 o 155732.41 153818.64 180.00 4.49268 7.08 3 -1 1 o 197909.28 195516.13 180.00 4.49268 9.00 3 -1 -2 o 45398.30 46338.62 0.00 4.42596 2.00 2 1 -2 o 69572.01 71051.26 0.00 4.42596 3.07 2 0 -7 o 3159.884 2916.955 0.00 4.35993 0.13 1 0 10 o 83635.11 83315.84 180.00 4.18214 3.28 2 1 4 o 115904.70 116206.96 180.00 4.18601 4.54 3 -1 4 o 360502.9 361416.4 180.00 4.18601 14.20 2 0 8 o 11.285 10.709 180.00 4.07800 0.00 1 1 -9 o 2057.213 2059.717 0.00 4.02733 0.07 1 1 9 o 61970.09 62038.35 0.00 4.02733 2.27 3 -1 -5 o 28072.689 28124.297 180.00 4.02963 1.01 2 1 -5 o 193459.97 193814.88 180.00 4.02963 7.05 3 0 0 o 49818.92 47155.27 0.00 3.98239 1.75 1 0 -11 o 35983.14 34296.246 0.00 3.84303 1.18 3 0 3 o 1812.462 1810.795 180.00 3.84703 0.06 3 0 -3 o 471.158 470.718 180.00 3.84703 0.02 0 0 12 o 593.018 442.193 0.00 3.72051 0.01 2 1 7 o 2088.677 2560.248 180.00 3.68543 0.06 3 -1 7 o 1410.589 1735.195 0.00 3.68543 0.04 2 0 -10 o 10198.189 8216.572 0.00 3.57616 0.29 3 -1 -8 o 16455.547 19087.762 0.00 3.51039 0.45 3 0 -6 o 73.494 85.313 180.00 3.51116 0.00 3 0 6 o 6.090 6.988 0.00 3.51116 0.00 2 1 -8 o 1336.697 1547.855 0.00 3.51040 0.04 2 2 0 o 433746.6 452789.5 180.00 3.44885 11.39 2 0 11 o 5379.862 5442.918 180.00 3.35714 0.14 1 0 13 o 370871.8 359472.6 180.00 3.30065 8.86 2 2 -3 o 13.773 13.580 0.00 3.35981 0.00 2 2 3 o 10.182 10.056 180.00 3.35981 0.00 1 1 -12 o 2.149 1.832 0.00 3.27454 0.00 1 1 12 o 51.703 42.854 180.00 3.27454 0.00 4 -1 -1 o 7392.103 6979.958 0.00 3.30446 0.18 3 1 -1 o 7990.202 7542.677 0.00 3.30446 0.19 4 -1 2 o 5358.692 5397.317 180.00 3.27764 0.13 3 1 2 o 4781.047 4803.537 180.00 3.27764 0.11 3 -1 10 o 29387.525 30220.604 0.00 3.17483 0.65 2 1 10 o 52413.09 53815.71 0.00 3.17483 1.16 1 0 -14 o 309256.44 320576.09 180.00 3.08113 6.41 4 -1 -4 o 24016.699 25062.881 0.00 3.17653 0.53 3 1 -4 o 27476.984 28703.146 0.00 3.17653 0.61 3 0 9 o 1226.089 1231.059 0.00 3.10549 0.02 3 0 -9 o 1180.448 1185.304 0.00 3.10549 0.02 2 2 6 o 48.827 44.436 0.00 3.12909 0.00 2 2 -6 o 25.325 23.036 180.00 3.12909 0.00 4 -1 5 o 17655.328 17998.326 0.00 3.10655 0.37 3 1 5 o 33322.359 33909.844 0.00 3.10655 0.70 0 0 15 o 94.412 91.686 0.00 2.97641 0.00 3 -1 -11 o 24480.775 22498.389 180.00 3.01860 0.48 2 1 -11 o 20951.494 19275.184 180.00 3.01860 0.41 2 0 -13 o 79886.05 78439.77 0.00 2.97734 1.55 4 0 1 o 409130.8 400524.5 0.00 2.98013 7.86 4 0 -2 o 149843.75 154735.22 180.00 2.96041 2.85 3 1 -7 o 3108.564 2668.974 180.00 2.94041 0.06 4 -1 -7 o 4349.659 3726.152 180.00 2.94041 0.08 4 0 4 o 493820.2 490125.7 0.00 2.88527 8.88 3 1 8 o 4740.701 4453.974 0.00 2.84918 0.08 2 0 14 o 76084.90 77610.41 0.00 2.81323 1.31 2 2 9 o 46208.95 44071.95 0.00 2.83173 0.80 4 -1 8 o 394.325 372.171 0.00 2.84918 0.01 4 0 -5 o 206873.84 198006.58 0.00 2.83253 3.58 2 2 -9 o 24932.184 23797.299 0.00 2.83173 0.43 1 1 -15 o 14.409 15.494 0.00 2.73284 0.00 1 1 15 o 14.729 15.929 180.00 2.73284 0.00 1 0 16 o 25826.510 26807.686 0.00 2.71725 0.41 2 1 13 o 138919.02 150333.14 0.00 2.73356 2.24 3 -1 13 o 174116.42 188365.03 0.00 2.73356 2.80 3 0 12 o 174.200 184.621 180.00 2.71867 0.00 3 0 -12 o 225.716 238.677 180.00 2.71867 0.00 3 2 1 o 3070.677 3246.679 180.00 2.73572 0.05 5 -2 1 o 4534.392 4788.298 180.00 2.73572 0.07 5 -2 -2 o 2170.429 2390.458 0.00 2.72044 0.04 3 2 -2 o 608.924 672.028 0.00 2.72044 0.01 4 0 7 o 76.320 73.758 180.00 2.70489 0.00 3 2 4 o 30135.344 25282.699 180.00 2.66179 0.46 3 1 -10 o 3.056 1.163 180.00 2.66079 0.00 4 -1 -10 o 1533.005 1297.706 0.00 2.66079 0.02 5 -2 4 o 10639.354 8953.619 180.00 2.66179 0.16 4 0 -8 o 4033.339 4104.205 180.00 2.63337 0.06 2 1 -14 o 171960.61 175170.41 0.00 2.60490 2.49 3 -1 -14 o 113770.22 115857.76 0.00 2.60490 1.65 5 -2 -5 o 29859.139 30082.949 180.00 2.62021 0.44 1 0 -17 o 11667.042 10056.762 180.00 2.56500 0.17 5 -1 0 o 181587.53 183808.61 0.00 2.60709 2.67 4 1 0 o 216157.95 218801.34 0.00 2.60709 3.17 3 2 -5 o 5843.616 5872.195 180.00 2.62021 0.08 2 0 -16 o 9105.965 8149.478 180.00 2.52816 0.12 4 1 3 o 613.856 478.560 0.00 2.56798 0.01 4 1 -3 o 2396.168 1873.054 0.00 2.56798 0.03 5 -1 3 o 31.411 24.113 180.00 2.56798 0.00 5 -1 -3 o 149.956 118.655 0.00 2.56798 0.00 4 -1 11 o 330.572 255.733 0.00 2.56679 0.00 3 1 11 o 187.124 152.492 180.00 2.56679 0.00 2 2 12 o 10.205 9.394 0.00 2.52930 0.00 0 0 18 o 952.886 663.445 180.00 2.48034 0.01 2 2 -12 o 9.555 8.816 180.00 2.52930 0.00 3 2 7 o 6098.493 5070.616 0.00 2.51819 0.08 5 -2 7 o 1322.469 1111.928 0.00 2.51819 0.02 4 0 10 o 19112.180 16303.949 180.00 2.48249 0.25 4 1 6 o 3563.563 3917.233 0.00 2.46044 0.04 5 -1 -6 o 1517.020 1667.941 180.00 2.46044 0.02 5 -2 -8 o 8767.337 9607.896 180.00 2.46018 0.11 2 0 17 o 2985.302 1847.685 0.00 2.40416 0.04 4 1 -6 o 3951.362 4386.669 180.00 2.46044 0.05 5 -1 6 o 7369.689 8176.990 0.00 2.46044 0.09 3 2 -8 o 1533.028 1695.234 180.00 2.46018 0.02 3 -1 16 o 18997.127 17651.926 180.00 2.37374 0.22 2 1 16 o 9527.223 8848.609 180.00 2.37374 0.11 4 0 -11 o 18290.063 12638.489 0.00 2.40563 0.22 4 -1 -13 o 1178.611 974.097 180.00 2.38459 0.02 3 1 -13 o 640.201 520.004 180.00 2.38459 0.01 3 0 -15 o 371.425 318.001 180.00 2.38411 0.00 3 0 15 o 122.470 105.750 180.00 2.38411 0.00 5 0 -1 o 715.484 521.414 0.00 2.38602 0.01 5 0 2 o 715.018 704.604 0.00 2.37586 0.01 1 1 -18 o 3836.041 3498.251 180.00 2.33403 0.04 1 1 18 o 13129.739 11839.622 180.00 2.33403 0.14 1 0 19 o 1375.350 1238.260 0.00 2.30562 0.01 5 0 -4 o 80730.09 75541.73 0.00 2.33649 0.93 5 -2 10 o 299.834 285.686 180.00 2.33582 0.00 3 2 10 o 6600.073 6190.466 180.00 2.33582 0.07 4 -1 14 o 269.388 230.468 0.00 2.29774 0.00 3 1 14 o 1490.511 1186.553 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