#------------------------------------------------------------------------------ #$Date: 2026-02-04 15:32:53 +0200 (Wed, 04 Feb 2026) $ #$Revision: 1378 $ #$URL: svn://localhost/testcod/cif/4/00/41/4004110.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_4004110 loop_ _publ_author_name 'Morscher, Alexandra' 'Dyer, Matthew S.' 'Duff, Benjamin B.' 'Han, Guopeng' 'Gamon, Jacinthe' 'Daniels, Luke M.' 'Dang, Yun' 'Surta, T. Wesley' 'Robertson, Craig M.' 'Blanc, Fr\'ed\'eric' 'Claridge, John B.' 'Rosseinsky, Matthew J.' _publ_section_title ; Li6SiO4Cl2: A Hexagonal Argyrodite Based on Antiperovskite Layer Stacking ; _journal_issue 6 _journal_name_full 'Chemistry of Materials' _journal_page_first 2206 _journal_page_last 2217 _journal_paper_doi 10.1021/acs.chemmater.1c00157 _journal_volume 33 _journal_year 2021 _chemical_formula_sum 'Cl1.96 Li5.51 O3.93 Si' _chemical_formula_weight 198.6964 _space_group_crystal_system hexagonal _space_group_IT_number 186 _space_group_name_Hall 'P 6c -2c' _space_group_name_H-M_alt 'P 63 m c' _symmetry_cell_setting hexagonal _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_formula_units_Z 2 _cell_length_a 6.110777(11) _cell_length_b 6.110777(11) _cell_length_c 10.02065(2) _cell_measurement_temperature 548.15 _cell_volume 324.0555(10) _computing_structure_refinement TOPAS-V5 _diffrn_ambient_temperature 548.15 _diffrn_measurement_device_type I11_Beamline_at_Diamone_Light_Source _diffrn_radiation_probe x-ray _diffrn_radiation_wavelength 0.82660 _exptl_absorpt_coefficient_mu 17.18 _exptl_crystal_density_diffrn 2.03587 _pd_block_id 275.xye _pd_calc_method Rietveld _pd_proc_2theta_range_inc 0.00400 _pd_proc_2theta_range_max 70.00000 _pd_proc_2theta_range_min 8.00000 _pd_proc_ls_prof_R_factor 1.92234 _pd_proc_ls_prof_wR_expected 0.56988 _pd_proc_ls_prof_wR_factor 2.75458 _refine_ls_goodness_of_fit_all 23.36381 _refine_ls_number_parameters 84 _refine_ls_R_factor_all 1.92234 _refine_ls_shift/su_max 0.0119 _cod_data_source_file cm1c00157_si_004_phase_1_P63mc.cif _cod_data_source_block phase_1_P63mc _cod_original_cell_volume 324.0556(14) _cod_original_sg_symbol_H-M P63mc _cod_database_code 4004110 loop_ _space_group_symop_operation_xyz 'x, y, z ' '-x, -y, z+1/2 ' '-x+y, -x, z ' '-x+y, y, z ' '-y, -x, z ' '-y, x-y, z ' 'y, -x+y, z+1/2 ' 'y, x, z+1/2 ' 'x-y, -y, z+1/2 ' 'x-y, x, z+1/2 ' '-x, -x+y, z+1/2 ' 'x, x-y, z ' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_adp_type _atom_site_U_iso_or_equiv Cl1 Cl-1 0.3333333 0.6666667 0.11937 0.977(3) 2 Biso 0 Cl2 Cl-1 0.3333333 0.6666667 0.73651(8) 0.979(3) 2 Biso 0 Li1a Li+1 0.5003(6) 0.4997(6) -0.0759(11) 0.417(17) 6 Biso 1.5(2) Li1b Li+1 0.4793(5) 0.5207(5) -0.5094(9) 0.494(16) 6 Biso 1.14(17) Li2 Li+1 0.7725(6) 0.0512(5) 0.7383(4) 0.463(5) 12 Biso 2.59(11) O1 O-2 0.14479(6) 0.85521(6) 0.42440(16) 0.982(3) 6 Biso 1.13(2) O2 O-2 0 0 0.64116(18) 0.988(4) 2 Biso 1.20(4) Si1 Si+4 0 0 -0.01944(15) 1 2 Biso 0.776(16) loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_12 _atom_site_aniso_U_13 _atom_site_aniso_U_23 Cl1 0.0213(8) 0.0217(6) 0.0274(7) 0.0100(10) -0.0012(4) -0.0002(5) Cl2 0.0246(9) 0.0246(7) 0.0398(9) 0.0107(10) -0.0056(9) 0.0050(10) loop_ _atom_type_symbol _atom_type_number_in_cell Cl1 2 Cl2 2 Li1a 6 Li1b 6 Li2 12 O1 6 O2 2 Si1 2 loop_ _geom_angle_atom_site_label_1 _geom_angle_atom_site_label_2 _geom_angle_atom_site_label_3 _geom_angle _geom_angle_site_symmetry_1 _geom_angle_site_symmetry_2 _geom_angle_site_symmetry_3 Li1b Cl1 Li1b 93.1(3) 7_565 1_555 2_665 Li1b Cl1 Li1b 93.1(3) 9_565 1_555 7_565 Li1b Cl1 Li1b 93.1(3) 9_565 1_555 2_665 Li2 Cl1 Li1b 94.25(14) 11_664 1_555 9_565 Li2 Cl1 Li1b 166.89(7) 11_664 1_555 7_565 Li2 Cl1 Li1b 75.68(18) 11_664 1_555 2_665 Li2 Cl1 Li2 98.09(12) 8_554 1_555 11_664 Li2 Cl1 Li1b 75.68(18) 8_554 1_555 9_565 Li2 Cl1 Li1b 94.25(14) 8_554 1_555 7_565 Li2 Cl1 Li1b 166.89(7) 8_554 1_555 2_665 Li2 Cl1 Li2 76.60(15) 7_564 1_555 8_554 Li2 Cl1 Li2 25.58(12) 7_564 1_555 11_664 Li2 Cl1 Li1b 75.68(18) 7_564 1_555 9_565 Li2 Cl1 Li1b 166.89(7) 7_564 1_555 7_565 Li2 Cl1 Li1b 94.25(14) 7_564 1_555 2_665 Li2 Cl1 Li2 98.09(12) 2_664 1_555 7_564 Li2 Cl1 Li2 25.58(12) 2_664 1_555 8_554 Li2 Cl1 Li2 114.52(17) 2_664 1_555 11_664 Li2 Cl1 Li1b 94.25(14) 2_664 1_555 9_565 Li2 Cl1 Li1b 75.68(18) 2_664 1_555 7_565 Li2 Cl1 Li1b 166.89(7) 2_664 1_555 2_665 Li2 Cl1 Li2 98.09(12) 10_554 1_555 2_664 Li2 Cl1 Li2 98.09(12) 10_554 1_555 7_564 Li2 Cl1 Li2 114.52(17) 10_554 1_555 8_554 Li2 Cl1 Li2 76.60(15) 10_554 1_555 11_664 Li2 Cl1 Li1b 166.89(7) 10_554 1_555 9_565 Li2 Cl1 Li1b 94.25(14) 10_554 1_555 7_565 Li2 Cl1 Li1b 75.68(18) 10_554 1_555 2_665 Li2 Cl1 Li2 25.58(12) 9_564 1_555 10_554 Li2 Cl1 Li2 76.60(15) 9_564 1_555 2_664 Li2 Cl1 Li2 114.52(17) 9_564 1_555 7_564 Li2 Cl1 Li2 98.09(12) 9_564 1_555 8_554 Li2 Cl1 Li2 98.09(12) 9_564 1_555 11_664 Li2 Cl1 Li1b 166.89(7) 9_564 1_555 9_565 Li2 Cl1 Li1b 75.68(18) 9_564 1_555 7_565 Li2 Cl1 Li1b 94.25(14) 9_564 1_555 2_665 Li1a Cl1 Li2 87.25(17) 6_665 1_555 9_564 Li1a Cl1 Li2 102.07(13) 6_665 1_555 10_554 Li1a Cl1 Li2 87.25(17) 6_665 1_555 2_664 Li1a Cl1 Li2 158.21(17) 6_665 1_555 7_564 Li1a Cl1 Li2 102.07(13) 6_665 1_555 8_554 Li1a Cl1 Li2 158.21(17) 6_665 1_555 11_664 Li1a Cl1 Li1b 82.9(2) 6_665 1_555 9_565 Li1a Cl1 Li1b 14.9(3) 6_665 1_555 7_565 Li1a Cl1 Li1b 82.9(2) 6_665 1_555 2_665 Li1a Cl1 Li1a 71.0(3) 1_555 1_555 6_665 Li1a Cl1 Li2 102.07(13) 1_555 1_555 9_564 Li1a Cl1 Li2 87.25(17) 1_555 1_555 10_554 Li1a Cl1 Li2 158.21(17) 1_555 1_555 2_664 Li1a Cl1 Li2 102.07(13) 1_555 1_555 7_564 Li1a Cl1 Li2 158.21(17) 1_555 1_555 8_554 Li1a Cl1 Li2 87.25(17) 1_555 1_555 11_664 Li1a Cl1 Li1b 82.9(2) 1_555 1_555 9_565 Li1a Cl1 Li1b 82.9(2) 1_555 1_555 7_565 Li1a Cl1 Li1b 14.9(3) 1_555 1_555 2_665 Li1a Cl1 Li1a 71.0(3) 3_565 1_555 1_555 Li1a Cl1 Li1a 71.0(3) 3_565 1_555 6_665 Li1a Cl1 Li2 158.21(17) 3_565 1_555 9_564 Li1a Cl1 Li2 158.21(17) 3_565 1_555 10_554 Li1a Cl1 Li2 102.07(13) 3_565 1_555 2_664 Li1a Cl1 Li2 87.25(17) 3_565 1_555 7_564 Li1a Cl1 Li2 87.25(17) 3_565 1_555 8_554 Li1a Cl1 Li2 102.07(13) 3_565 1_555 11_664 Li1a Cl1 Li1b 14.9(3) 3_565 1_555 9_565 Li1a Cl1 Li1b 82.9(2) 3_565 1_555 7_565 Li1a Cl1 Li1b 82.9(2) 3_565 1_555 2_665 Li2 Cl2 Li2 46.89(19) 4_665 1_555 6_555 Li2 Cl2 Li2 119.995(8) 12_555 1_555 4_665 Li2 Cl2 Li2 166.87(19) 12_555 1_555 6_555 Li2 Cl2 Li2 73.11(19) 3_665 1_555 12_555 Li2 Cl2 Li2 166.87(19) 3_665 1_555 4_665 Li2 Cl2 Li2 119.995(8) 3_665 1_555 6_555 Li2 Cl2 Li2 46.89(19) 5_565 1_555 3_665 Li2 Cl2 Li2 119.995(8) 5_565 1_555 12_555 Li2 Cl2 Li2 119.995(8) 5_565 1_555 4_665 Li2 Cl2 Li2 73.11(19) 5_565 1_555 6_555 Li2 Cl2 Li2 166.87(19) 1_565 1_555 5_565 Li2 Cl2 Li2 119.995(8) 1_565 1_555 3_665 Li2 Cl2 Li2 46.89(19) 1_565 1_555 12_555 Li2 Cl2 Li2 73.11(19) 1_565 1_555 4_665 Li2 Cl2 Li2 119.995(8) 1_565 1_555 6_555 Li1a Cl2 Li2 128.56(19) 3_566 1_555 1_565 Li1a Cl2 Li2 56.28(16) 3_566 1_555 5_565 Li1a Cl2 Li2 85.23(9) 3_566 1_555 3_665 Li1a Cl2 Li2 128.56(19) 3_566 1_555 12_555 Li1a Cl2 Li2 85.23(9) 3_566 1_555 4_665 Li1a Cl2 Li2 56.28(16) 3_566 1_555 6_555 Li1a Cl2 Li1a 72.8(3) 1_556 1_555 3_566 Li1a Cl2 Li2 85.23(9) 1_556 1_555 1_565 Li1a Cl2 Li2 85.23(9) 1_556 1_555 5_565 Li1a Cl2 Li2 56.28(16) 1_556 1_555 3_665 Li1a Cl2 Li2 56.28(16) 1_556 1_555 12_555 Li1a Cl2 Li2 128.56(19) 1_556 1_555 4_665 Li1a Cl2 Li2 128.56(19) 1_556 1_555 6_555 Li1a Cl2 Li1a 72.8(3) 6_666 1_555 1_556 Li1a Cl2 Li1a 72.8(3) 6_666 1_555 3_566 Li1a Cl2 Li2 56.28(16) 6_666 1_555 1_565 Li1a Cl2 Li2 128.56(19) 6_666 1_555 5_565 Li1a Cl2 Li2 128.56(19) 6_666 1_555 3_665 Li1a Cl2 Li2 85.23(9) 6_666 1_555 12_555 Li1a Cl2 Li2 56.28(16) 6_666 1_555 4_665 Li1a Cl2 Li2 85.23(9) 6_666 1_555 6_555 Li1b Cl2 Li1a 104.7(2) 6_666 1_555 6_666 Li1b Cl2 Li1a 143.06(12) 6_666 1_555 1_556 Li1b Cl2 Li1a 143.06(12) 6_666 1_555 3_566 Li1b Cl2 Li2 65.11(13) 6_666 1_555 1_565 Li1b Cl2 Li2 119.56(15) 6_666 1_555 5_565 Li1b Cl2 Li2 119.56(15) 6_666 1_555 3_665 Li1b Cl2 Li2 86.86(9) 6_666 1_555 12_555 Li1b Cl2 Li2 65.11(13) 6_666 1_555 4_665 Li1b Cl2 Li2 86.86(9) 6_666 1_555 6_555 Li1b Cl2 Li1b 54.8(2) 1_556 1_555 6_666 Li1b Cl2 Li1a 143.06(12) 1_556 1_555 6_666 Li1b Cl2 Li1a 104.7(2) 1_556 1_555 1_556 Li1b Cl2 Li1a 143.06(12) 1_556 1_555 3_566 Li1b Cl2 Li2 86.86(9) 1_556 1_555 1_565 Li1b Cl2 Li2 86.86(9) 1_556 1_555 5_565 Li1b Cl2 Li2 65.11(13) 1_556 1_555 3_665 Li1b Cl2 Li2 65.11(13) 1_556 1_555 12_555 Li1b Cl2 Li2 119.56(15) 1_556 1_555 4_665 Li1b Cl2 Li2 119.56(15) 1_556 1_555 6_555 Li1b Cl2 Li1b 54.8(2) 3_566 1_555 1_556 Li1b Cl2 Li1b 54.8(2) 3_566 1_555 6_666 Li1b Cl2 Li1a 143.06(12) 3_566 1_555 6_666 Li1b Cl2 Li1a 143.06(12) 3_566 1_555 1_556 Li1b Cl2 Li1a 104.7(2) 3_566 1_555 3_566 Li1b Cl2 Li2 119.56(15) 3_566 1_555 1_565 Li1b Cl2 Li2 65.11(13) 3_566 1_555 5_565 Li1b Cl2 Li2 86.86(9) 3_566 1_555 3_665 Li1b Cl2 Li2 119.56(15) 3_566 1_555 12_555 Li1b Cl2 Li2 86.86(9) 3_566 1_555 4_665 Li1b Cl2 Li2 65.11(13) 3_566 1_555 6_555 O1 Li1a Li1b 82.8(3) 9_664 1_555 2_665 O1 Li1a O1 132.3(3) 7_554 1_555 9_664 O1 Li1a Li1b 82.8(3) 7_554 1_555 2_665 Li2 Li1a O1 52.0(2) 12_554 1_555 7_554 Li2 Li1a O1 121.9(5) 12_554 1_555 9_664 Li2 Li1a Li1b 134.5(3) 12_554 1_555 2_665 Li2 Li1a Li2 77.4(4) 3_664 1_555 12_554 Li2 Li1a O1 121.9(5) 3_664 1_555 7_554 Li2 Li1a O1 52.0(2) 3_664 1_555 9_664 Li2 Li1a Li1b 134.5(3) 3_664 1_555 2_665 Cl2 Li1a Li2 60.9(2) 1_554 1_555 3_664 Cl2 Li1a Li2 60.9(2) 1_554 1_555 12_554 Cl2 Li1a O1 106.1(3) 1_554 1_555 7_554 Cl2 Li1a O1 106.1(3) 1_554 1_555 9_664 Cl2 Li1a Li1b 154.7(9) 1_554 1_555 2_665 Cl1 Li1a Cl2 94.69(18) 1_555 1_555 1_554 Cl1 Li1a Li2 130.36(19) 1_555 1_555 3_664 Cl1 Li1a Li2 130.36(19) 1_555 1_555 12_554 Cl1 Li1a O1 105.6(3) 1_555 1_555 7_554 Cl1 Li1a O1 105.6(3) 1_555 1_555 9_664 Cl1 Li1a Li1b 60.0(8) 1_555 1_555 2_665 Li1b Li1a Cl1 114.1(4) 7_555 1_555 1_555 Li1b Li1a Cl2 139.0(4) 7_555 1_555 1_554 Li1b Li1a Li2 78.2(2) 7_555 1_555 3_664 Li1b Li1a Li2 111.3(3) 7_555 1_555 12_554 Li1b Li1a O1 93.9(2) 7_555 1_555 7_554 Li1b Li1a O1 40.15(15) 7_555 1_555 9_664 Li1b Li1a Li1b 61.2(5) 7_555 1_555 2_665 Li1b Li1a Li1b 54.11(16) 9_665 1_555 7_555 Li1b Li1a Cl1 114.1(4) 9_665 1_555 1_555 Li1b Li1a Cl2 139.0(4) 9_665 1_555 1_554 Li1b Li1a Li2 111.3(3) 9_665 1_555 3_664 Li1b Li1a Li2 78.2(2) 9_665 1_555 12_554 Li1b Li1a O1 40.15(15) 9_665 1_555 7_554 Li1b Li1a O1 93.9(2) 9_665 1_555 9_664 Li1b Li1a Li1b 61.2(5) 9_665 1_555 2_665 Li2 Li1a Li1b 59.2(2) 6_654 1_555 9_665 Li2 Li1a Li1b 96.1(2) 6_654 1_555 7_555 Li2 Li1a Cl1 136.46(13) 6_654 1_555 1_555 Li2 Li1a Cl2 79.8(3) 6_654 1_555 1_554 Li2 Li1a Li2 84.5(3) 6_654 1_555 3_664 Li2 Li1a Li2 19.02(10) 6_654 1_555 12_554 Li2 Li1a O1 38.7(2) 6_654 1_555 7_554 Li2 Li1a O1 117.4(4) 6_654 1_555 9_664 Li2 Li1a Li1b 117.7(4) 6_654 1_555 2_665 Li2 Li1a Li2 85.5(3) 4_654 1_555 6_654 Li2 Li1a Li1b 96.1(2) 4_654 1_555 9_665 Li2 Li1a Li1b 59.2(2) 4_654 1_555 7_555 Li2 Li1a Cl1 136.46(13) 4_654 1_555 1_555 Li2 Li1a Cl2 79.8(3) 4_654 1_555 1_554 Li2 Li1a Li2 19.02(10) 4_654 1_555 3_664 Li2 Li1a Li2 84.5(3) 4_654 1_555 12_554 Li2 Li1a O1 117.4(4) 4_654 1_555 7_554 Li2 Li1a O1 38.7(2) 4_654 1_555 9_664 Li2 Li1a Li1b 117.7(4) 4_654 1_555 2_665 Li1a Li1a Li2 46.84(17) 6_655 1_555 4_654 Li1a Li1a Li2 89.69(13) 6_655 1_555 6_654 Li1a Li1a Li1b 58.77(8) 6_655 1_555 9_665 Li1a Li1a Li1b 13.3(3) 6_655 1_555 7_555 Li1a Li1a Cl1 125.48(15) 6_655 1_555 1_555 Li1a Li1a Cl2 126.38(15) 6_655 1_555 1_554 Li1a Li1a Li2 65.86(17) 6_655 1_555 3_664 Li1a Li1a Li2 102.51(16) 6_655 1_555 12_554 Li1a Li1a O1 96.17(17) 6_655 1_555 7_554 Li1a Li1a O1 36.17(17) 6_655 1_555 9_664 Li1a Li1a Li1b 74.5(6) 6_655 1_555 2_665 Li1a Li1a Li1a 60.000 3_665 1_555 6_655 Li1a Li1a Li2 89.69(13) 3_665 1_555 4_654 Li1a Li1a Li2 46.84(17) 3_665 1_555 6_654 Li1a Li1a Li1b 13.3(3) 3_665 1_555 9_665 Li1a Li1a Li1b 58.77(8) 3_665 1_555 7_555 Li1a Li1a Cl1 125.48(15) 3_665 1_555 1_555 Li1a Li1a Cl2 126.38(15) 3_665 1_555 1_554 Li1a Li1a Li2 102.51(16) 3_665 1_555 3_664 Li1a Li1a Li2 65.86(17) 3_665 1_555 12_554 Li1a Li1a O1 36.17(17) 3_665 1_555 7_554 Li1a Li1a O1 96.17(17) 3_665 1_555 9_664 Li1a Li1a Li1b 74.5(6) 3_665 1_555 2_665 Li1a Li1a Li1a 180.000 3_565 1_555 3_665 Li1a Li1a Li1a 120.000 3_565 1_555 6_655 Li1a Li1a Li2 90.31(13) 3_565 1_555 4_654 Li1a Li1a Li2 133.16(17) 3_565 1_555 6_654 Li1a Li1a Li1b 166.7(3) 3_565 1_555 9_665 Li1a Li1a Li1b 121.23(8) 3_565 1_555 7_555 Li1a Li1a Cl1 54.52(15) 3_565 1_555 1_555 Li1a Li1a Cl2 53.62(15) 3_565 1_555 1_554 Li1a Li1a Li2 77.49(16) 3_565 1_555 3_664 Li1a Li1a Li2 114.14(17) 3_565 1_555 12_554 Li1a Li1a O1 143.83(17) 3_565 1_555 7_554 Li1a Li1a O1 83.83(17) 3_565 1_555 9_664 Li1a Li1a Li1b 105.5(6) 3_565 1_555 2_665 Li1a Li1a Li1a 60.000 6_665 1_555 3_565 Li1a Li1a Li1a 120.000 6_665 1_555 3_665 Li1a Li1a Li1a 180.000 6_665 1_555 6_655 Li1a Li1a Li2 133.16(17) 6_665 1_555 4_654 Li1a Li1a Li2 90.31(13) 6_665 1_555 6_654 Li1a Li1a Li1b 121.23(8) 6_665 1_555 9_665 Li1a Li1a Li1b 166.7(3) 6_665 1_555 7_555 Li1a Li1a Cl1 54.52(15) 6_665 1_555 1_555 Li1a Li1a Cl2 53.62(15) 6_665 1_555 1_554 Li1a Li1a Li2 114.14(17) 6_665 1_555 3_664 Li1a Li1a Li2 77.49(16) 6_665 1_555 12_554 Li1a Li1a O1 83.83(17) 6_665 1_555 7_554 Li1a Li1a O1 143.83(17) 6_665 1_555 9_664 Li1a Li1a Li1b 105.5(6) 6_665 1_555 2_665 Si1 Li1a Li1a 119.40(11) 1_555 1_555 6_665 Si1 Li1a Li1a 60.50(11) 1_555 1_555 3_565 Si1 Li1a Li1a 119.50(11) 1_555 1_555 3_665 Si1 Li1a Li1a 60.60(11) 1_555 1_555 6_655 Si1 Li1a Li2 56.32(10) 1_555 1_555 4_654 Si1 Li1a Li2 141.3(3) 1_555 1_555 6_654 Si1 Li1a Li1b 114.0(2) 1_555 1_555 9_665 Si1 Li1a Li1b 60.81(8) 1_555 1_555 7_555 Si1 Li1a Cl1 82.20(18) 1_555 1_555 1_555 Si1 Li1a Cl2 97.58(16) 1_555 1_555 1_554 Si1 Li1a Li2 61.68(11) 1_555 1_555 3_664 Si1 Li1a Li2 139.1(4) 1_555 1_555 12_554 Si1 Li1a O1 154.1(3) 1_555 1_555 7_554 Si1 Li1a O1 25.93(9) 1_555 1_555 9_664 Si1 Li1a Li1b 80.0(2) 1_555 1_555 2_665 Si1 Li1a Si1 159.0(4) 1_665 1_555 1_555 Si1 Li1a Li1a 60.50(11) 1_665 1_555 6_665 Si1 Li1a Li1a 119.40(11) 1_665 1_555 3_565 Si1 Li1a Li1a 60.60(11) 1_665 1_555 3_665 Si1 Li1a Li1a 119.50(11) 1_665 1_555 6_655 Si1 Li1a Li2 141.3(3) 1_665 1_555 4_654 Si1 Li1a Li2 56.32(10) 1_665 1_555 6_654 Si1 Li1a Li1b 60.81(8) 1_665 1_555 9_665 Si1 Li1a Li1b 114.0(2) 1_665 1_555 7_555 Si1 Li1a Cl1 82.20(18) 1_665 1_555 1_555 Si1 Li1a Cl2 97.58(16) 1_665 1_555 1_554 Si1 Li1a Li2 139.1(4) 1_665 1_555 3_664 Si1 Li1a Li2 61.68(11) 1_665 1_555 12_554 Si1 Li1a O1 25.93(9) 1_665 1_555 7_554 Si1 Li1a O1 154.1(3) 1_665 1_555 9_664 Si1 Li1a Li1b 80.0(2) 1_665 1_555 2_665 O1 Li1b Li1a 76.1(4) 3_564 1_555 2_664 O1 Li1b O1 127.1(4) 6_664 1_555 3_564 O1 Li1b Li1a 76.1(4) 6_664 1_555 2_664 Cl1 Li1b O1 115.16(14) 2_664 1_555 6_664 Cl1 Li1b O1 115.16(14) 2_664 1_555 3_564 Cl1 Li1b Li1a 105.1(7) 2_664 1_555 2_664 Li1b Li1b Cl1 136.55(14) 3_565 1_555 2_664 Li1b Li1b O1 46.12(16) 3_565 1_555 6_664 Li1b Li1b O1 101.66(13) 3_565 1_555 3_564 Li1b Li1b Li1a 105.5(6) 3_565 1_555 2_664 Li1b Li1b Li1b 60.000 6_665 1_555 3_565 Li1b Li1b Cl1 136.55(14) 6_665 1_555 2_664 Li1b Li1b O1 101.66(13) 6_665 1_555 6_664 Li1b Li1b O1 46.12(16) 6_665 1_555 3_564 Li1b Li1b Li1a 105.5(6) 6_665 1_555 2_664 Cl2 Li1b Li1b 62.61(10) 1_554 1_555 6_665 Cl2 Li1b Li1b 62.61(10) 1_554 1_555 3_565 Cl2 Li1b Cl1 89.1(3) 1_554 1_555 2_664 Cl2 Li1b O1 98.1(2) 1_554 1_555 6_664 Cl2 Li1b O1 98.1(2) 1_554 1_555 3_564 Cl2 Li1b Li1a 165.9(8) 1_554 1_555 2_664 Li1a Li1b Cl2 75.8(2) 7_564 1_555 1_554 Li1a Li1b Li1b 13.3(3) 7_564 1_555 6_665 Li1a Li1b Li1b 62.94(8) 7_564 1_555 3_565 Li1a Li1b Cl1 144.6(2) 7_564 1_555 2_664 Li1a Li1b O1 98.8(2) 7_564 1_555 6_664 Li1a Li1b O1 39.12(12) 7_564 1_555 3_564 Li1a Li1b Li1a 92.2(8) 7_564 1_555 2_664 Li1a Li1b Li1a 62.46(17) 9_564 1_555 7_564 Li1a Li1b Cl2 75.8(2) 9_564 1_555 1_554 Li1a Li1b Li1b 62.94(8) 9_564 1_555 6_665 Li1a Li1b Li1b 13.3(3) 9_564 1_555 3_565 Li1a Li1b Cl1 144.6(2) 9_564 1_555 2_664 Li1a Li1b O1 39.12(12) 9_564 1_555 6_664 Li1a Li1b O1 98.8(2) 9_564 1_555 3_564 Li1a Li1b Li1a 92.2(8) 9_564 1_555 2_664 Li2 Li1b Li1a 93.6(2) 3_664 1_555 9_564 Li2 Li1b Li1a 126.4(3) 3_664 1_555 7_564 Li2 Li1b Cl2 51.29(16) 3_664 1_555 1_554 Li2 Li1b Li1b 113.59(12) 3_664 1_555 6_665 Li2 Li1b Li1b 83.56(11) 3_664 1_555 3_565 Li2 Li1b Cl1 53.21(18) 3_664 1_555 2_664 Li2 Li1b O1 83.01(18) 3_664 1_555 6_664 Li2 Li1b O1 142.7(4) 3_664 1_555 3_564 Li2 Li1b Li1a 138.6(4) 3_664 1_555 2_664 Li2 Li1b Li2 61.6(2) 12_554 1_555 3_664 Li2 Li1b Li1a 126.4(3) 12_554 1_555 9_564 Li2 Li1b Li1a 93.6(2) 12_554 1_555 7_564 Li2 Li1b Cl2 51.29(16) 12_554 1_555 1_554 Li2 Li1b Li1b 83.56(11) 12_554 1_555 6_665 Li2 Li1b Li1b 113.59(12) 12_554 1_555 3_565 Li2 Li1b Cl1 53.21(18) 12_554 1_555 2_664 Li2 Li1b O1 142.7(4) 12_554 1_555 6_664 Li2 Li1b O1 83.01(18) 12_554 1_555 3_564 Li2 Li1b Li1a 138.6(4) 12_554 1_555 2_664 Li2 Li1b Li2 117.64(14) 10_553 1_555 12_554 Li2 Li1b Li2 171.42(19) 10_553 1_555 3_664 Li2 Li1b Li1a 93.2(3) 10_553 1_555 9_564 Li2 Li1b Li1a 61.7(2) 10_553 1_555 7_564 Li2 Li1b Cl2 135.90(14) 10_553 1_555 1_554 Li2 Li1b Li1b 74.25(11) 10_553 1_555 6_665 Li2 Li1b Li1b 103.94(12) 10_553 1_555 3_565 Li2 Li1b Cl1 118.9(2) 10_553 1_555 2_664 Li2 Li1b O1 99.1(4) 10_553 1_555 6_664 Li2 Li1b O1 40.64(18) 10_553 1_555 3_564 Li2 Li1b Li1a 35.8(3) 10_553 1_555 2_664 Li2 Li1b Li2 61.6(2) 11_663 1_555 10_553 Li2 Li1b Li2 171.42(19) 11_663 1_555 12_554 Li2 Li1b Li2 117.64(14) 11_663 1_555 3_664 Li2 Li1b Li1a 61.7(2) 11_663 1_555 9_564 Li2 Li1b Li1a 93.2(3) 11_663 1_555 7_564 Li2 Li1b Cl2 135.90(14) 11_663 1_555 1_554 Li2 Li1b Li1b 103.94(12) 11_663 1_555 6_665 Li2 Li1b Li1b 74.25(11) 11_663 1_555 3_565 Li2 Li1b Cl1 118.9(2) 11_663 1_555 2_664 Li2 Li1b O1 40.64(18) 11_663 1_555 6_664 Li2 Li1b O1 99.1(4) 11_663 1_555 3_564 Li2 Li1b Li1a 35.8(3) 11_663 1_555 2_664 Si1 Li1b Li2 57.47(12) 2_554 1_555 11_663 Si1 Li1b Li2 118.9(3) 2_554 1_555 10_553 Si1 Li1b Li2 121.8(3) 2_554 1_555 12_554 Si1 Li1b Li2 60.34(11) 2_554 1_555 3_664 Si1 Li1b Li1a 62.26(8) 2_554 1_555 9_564 Si1 Li1b Li1a 124.63(18) 2_554 1_555 7_564 Si1 Li1b Cl2 93.78(16) 2_554 1_555 1_554 Si1 Li1b Li1b 124.08(9) 2_554 1_555 6_665 Si1 Li1b Li1b 64.11(9) 2_554 1_555 3_565 Si1 Li1b Cl1 87.60(11) 2_554 1_555 2_664 Si1 Li1b O1 27.93(6) 2_554 1_555 6_664 Si1 Li1b O1 154.3(4) 2_554 1_555 3_564 Si1 Li1b Li1a 86.94(16) 2_554 1_555 2_664 Si1 Li1b Si1 171.0(2) 2_664 1_555 2_554 Si1 Li1b Li2 118.9(3) 2_664 1_555 11_663 Si1 Li1b Li2 57.47(12) 2_664 1_555 10_553 Si1 Li1b Li2 60.34(11) 2_664 1_555 12_554 Si1 Li1b Li2 121.8(3) 2_664 1_555 3_664 Si1 Li1b Li1a 124.63(18) 2_664 1_555 9_564 Si1 Li1b Li1a 62.26(8) 2_664 1_555 7_564 Si1 Li1b Cl2 93.78(16) 2_664 1_555 1_554 Si1 Li1b Li1b 64.11(9) 2_664 1_555 6_665 Si1 Li1b Li1b 124.08(9) 2_664 1_555 3_565 Si1 Li1b Cl1 87.60(11) 2_664 1_555 2_664 Si1 Li1b O1 154.3(4) 2_664 1_555 6_664 Si1 Li1b O1 27.93(6) 2_664 1_555 3_564 Si1 Li1b Li1a 86.94(16) 2_664 1_555 2_664 O2 Li2 Li2 73.04(8) 1_655 1_555 5_665 O1 Li2 O2 116.7(2) 2_665 1_555 1_655 O1 Li2 Li2 73.90(8) 2_665 1_555 5_665 Li2 Li2 O1 99.46(12) 12_545 1_555 2_665 Li2 Li2 O2 56.93(10) 12_545 1_555 1_655 Li2 Li2 Li2 120.000 12_545 1_555 5_665 Li1a Li2 Li2 102.51(16) 6_656 1_555 12_545 Li1a Li2 O1 50.02(19) 6_656 1_555 2_665 Li1a Li2 O2 156.1(3) 6_656 1_555 1_655 Li1a Li2 Li2 114.14(17) 6_656 1_555 5_665 Cl1 Li2 Li1a 93.3(2) 2_665 1_555 6_656 Cl1 Li2 Li2 147.26(8) 2_665 1_555 12_545 Cl1 Li2 O1 112.56(17) 2_665 1_555 2_665 Cl1 Li2 O2 110.55(17) 2_665 1_555 1_655 Cl1 Li2 Li2 77.21(6) 2_665 1_555 5_665 Cl2 Li2 Cl1 96.91(13) 1_545 1_555 2_665 Cl2 Li2 Li1a 62.84(18) 1_545 1_555 6_656 Cl2 Li2 Li2 66.55(9) 1_545 1_555 12_545 Cl2 Li2 O1 106.19(15) 1_545 1_555 2_665 Cl2 Li2 O2 112.16(15) 1_545 1_555 1_655 Cl2 Li2 Li2 173.43(10) 1_545 1_555 5_665 Li2 Li2 Cl2 86.62(16) 6_645 1_555 1_545 Li2 Li2 Cl1 150.35(9) 6_645 1_555 2_665 Li2 Li2 Li1a 114.10(19) 6_645 1_555 6_656 Li2 Li2 Li2 20.07(9) 6_645 1_555 12_545 Li2 Li2 O1 94.42(12) 6_645 1_555 2_665 Li2 Li2 O2 42.60(9) 6_645 1_555 1_655 Li2 Li2 Li2 99.93(9) 6_645 1_555 5_665 Li2 Li2 Li2 60.000 3_765 1_555 6_645 Li2 Li2 Cl2 146.62(16) 3_765 1_555 1_545 Li2 Li2 Cl1 111.82(12) 3_765 1_555 2_665 Li2 Li2 Li1a 128.73(19) 3_765 1_555 6_656 Li2 Li2 Li2 80.07(9) 3_765 1_555 12_545 Li2 Li2 O1 78.83(11) 3_765 1_555 2_665 Li2 Li2 O2 42.60(9) 3_765 1_555 1_655 Li2 Li2 Li2 39.93(9) 3_765 1_555 5_665 Si1 Li2 Li2 61.95(7) 1_656 1_555 3_765 Si1 Li2 Li2 61.95(7) 1_656 1_555 6_645 Si1 Li2 Cl2 104.43(12) 1_656 1_555 1_545 Si1 Li2 Cl1 143.13(14) 1_656 1_555 2_665 Si1 Li2 Li1a 71.08(19) 1_656 1_555 6_656 Si1 Li2 Li2 69.60(7) 1_656 1_555 12_545 Si1 Li2 O1 32.55(7) 1_656 1_555 2_665 Si1 Li2 O2 88.89(16) 1_656 1_555 1_655 Si1 Li2 Li2 79.26(5) 1_656 1_555 5_665 Li1b Li2 Si1 165.01(15) 6_656 1_555 1_656 Li1b Li2 Li2 122.57(13) 6_656 1_555 3_765 Li1b Li2 Li2 106.62(14) 6_656 1_555 6_645 Li1b Li2 Cl2 63.61(13) 6_656 1_555 1_545 Li1b Li2 Cl1 51.11(11) 6_656 1_555 2_665 Li1b Li2 Li1a 108.2(2) 6_656 1_555 6_656 Li1b Li2 Li2 96.44(11) 6_656 1_555 12_545 Li1b Li2 O1 155.4(2) 6_656 1_555 2_665 Li1b Li2 O2 87.75(17) 6_656 1_555 1_655 Li1b Li2 Li2 113.59(12) 6_656 1_555 5_665 Li1b Li2 Li1b 117.27(12) 7_556 1_555 6_656 Li1b Li2 Si1 63.34(12) 7_556 1_555 1_656 Li1b Li2 Li2 119.15(12) 7_556 1_555 3_765 Li1b Li2 Li2 112.43(14) 7_556 1_555 6_645 Li1b Li2 Cl2 71.74(13) 7_556 1_555 1_545 Li1b Li2 Cl1 96.52(16) 7_556 1_555 2_665 Li1b Li2 Li1a 9.78(18) 7_556 1_555 6_656 Li1b Li2 Li2 103.94(12) 7_556 1_555 12_545 Li1b Li2 O1 40.34(12) 7_556 1_555 2_665 Li1b Li2 O2 151.5(2) 7_556 1_555 1_655 Li1b Li2 Li2 105.75(11) 7_556 1_555 5_665 Li1a Li2 Li1b 59.1(2) 3_666 1_555 7_556 Li1a Li2 Li1b 130.8(2) 3_666 1_555 6_656 Li1a Li2 Si1 63.41(16) 3_666 1_555 1_656 Li1a Li2 Li2 74.03(15) 3_666 1_555 3_765 Li1a Li2 Li2 120.05(13) 3_666 1_555 6_645 Li1a Li2 Cl2 129.8(2) 3_666 1_555 1_545 Li1a Li2 Cl1 79.80(17) 3_666 1_555 2_665 Li1a Li2 Li1a 67.3(3) 3_666 1_555 6_656 Li1a Li2 Li2 132.74(15) 3_666 1_555 12_545 Li1a Li2 O1 37.44(17) 3_666 1_555 2_665 Li1a Li2 O2 115.84(17) 3_666 1_555 1_655 Li1a Li2 Li2 46.84(17) 3_666 1_555 5_665 Li2 Li2 Li1a 90.31(13) 4_655 1_555 3_666 Li2 Li2 Li1b 59.19(12) 4_655 1_555 7_556 Li2 Li2 Li1b 59.18(12) 4_655 1_555 6_656 Li2 Li2 Si1 122.34(8) 4_655 1_555 1_656 Li2 Li2 Li2 159.93(9) 4_655 1_555 3_765 Li2 Li2 Li2 140.07(9) 4_655 1_555 6_645 Li2 Li2 Cl2 53.45(9) 4_655 1_555 1_545 Li2 Li2 Cl1 51.70(8) 4_655 1_555 2_665 Li2 Li2 Li1a 51.28(19) 4_655 1_555 6_656 Li2 Li2 Li2 120.000 4_655 1_555 12_545 Li2 Li2 O1 96.49(12) 4_655 1_555 2_665 Li2 Li2 O2 146.86(13) 4_655 1_555 1_655 Li2 Li2 Li2 120.000 4_655 1_555 5_665 O1 Li2 Li2 120.80(7) 7_545 1_555 4_655 O1 Li2 Li1a 94.92(18) 7_545 1_555 3_666 O1 Li2 Li1b 73.83(13) 7_545 1_555 7_556 O1 Li2 Li1b 133.11(14) 7_545 1_555 6_656 O1 Li2 Si1 31.96(5) 7_545 1_555 1_656 O1 Li2 Li2 73.97(8) 7_545 1_555 3_765 O1 Li2 Li2 39.12(9) 7_545 1_555 6_645 O1 Li2 Cl2 80.19(9) 7_545 1_555 1_545 O1 Li2 Cl1 170.35(17) 7_545 1_555 2_665 O1 Li2 Li1a 77.12(18) 7_545 1_555 6_656 O1 Li2 Li2 39.37(7) 7_545 1_555 12_545 O1 Li2 O1 60.09(11) 7_545 1_555 2_665 O1 Li2 O2 78.99(15) 7_545 1_555 1_655 O1 Li2 Li2 105.13(5) 7_545 1_555 5_665 Si1 Li2 O1 102.24(13) 2_655 1_555 7_545 Si1 Li2 Li2 120.78(8) 2_655 1_555 4_655 Si1 Li2 Li1a 126.52(18) 2_655 1_555 3_666 Si1 Li2 Li1b 173.85(15) 2_655 1_555 7_556 Si1 Li2 Li1b 61.80(12) 2_655 1_555 6_656 Si1 Li2 Si1 115.81(14) 2_655 1_555 1_656 Si1 Li2 Li2 63.26(7) 2_655 1_555 3_765 Si1 Li2 Li2 63.26(7) 2_655 1_555 6_645 Si1 Li2 Cl2 103.11(12) 2_655 1_555 1_545 Si1 Li2 Cl1 87.36(11) 2_655 1_555 2_665 Si1 Li2 Li1a 165.9(2) 2_655 1_555 6_656 Si1 Li2 Li2 70.52(7) 2_655 1_555 12_545 Si1 Li2 O1 141.77(17) 2_655 1_555 2_665 Si1 Li2 O2 26.91(8) 2_655 1_555 1_655 Si1 Li2 Li2 79.73(5) 2_655 1_555 5_665 Li2 Li2 Si1 59.22(8) 4_755 1_555 2_655 Li2 Li2 O1 59.20(7) 4_755 1_555 7_545 Li2 Li2 Li2 180.000 4_755 1_555 4_655 Li2 Li2 Li1a 89.69(13) 4_755 1_555 3_666 Li2 Li2 Li1b 120.81(12) 4_755 1_555 7_556 Li2 Li2 Li1b 120.82(12) 4_755 1_555 6_656 Li2 Li2 Si1 57.66(8) 4_755 1_555 1_656 Li2 Li2 Li2 20.07(9) 4_755 1_555 3_765 Li2 Li2 Li2 39.93(9) 4_755 1_555 6_645 Li2 Li2 Cl2 126.55(9) 4_755 1_555 1_545 Li2 Li2 Cl1 128.30(8) 4_755 1_555 2_665 Li2 Li2 Li1a 128.72(19) 4_755 1_555 6_656 Li2 Li2 Li2 60.000 4_755 1_555 12_545 Li2 Li2 O1 83.51(12) 4_755 1_555 2_665 Li2 Li2 O2 33.14(13) 4_755 1_555 1_655 Li2 Li2 Li2 60.000 4_755 1_555 5_665 Li1a O1 Si1 123.7(2) 9_565 1_555 2_565 Li1a O1 Li1a 107.7(3) 7_565 1_555 9_565 Li1a O1 Si1 123.7(2) 7_565 1_555 2_565 Li1b O1 Li1a 100.7(2) 3_566 1_555 7_565 Li1b O1 Li1a 21.1(4) 3_566 1_555 9_565 Li1b O1 Si1 118.4(2) 3_566 1_555 2_565 Li1b O1 Li1b 87.8(3) 6_666 1_555 3_566 Li1b O1 Li1a 21.1(4) 6_666 1_555 7_565 Li1b O1 Li1a 100.7(2) 6_666 1_555 9_565 Li1b O1 Si1 118.4(2) 6_666 1_555 2_565 Li2 O1 Li1b 99.0(3) 2_664 1_555 6_666 Li2 O1 Li1b 122.8(3) 2_664 1_555 3_566 Li2 O1 Li1a 78.0(4) 2_664 1_555 7_565 Li2 O1 Li1a 103.9(4) 2_664 1_555 9_565 Li2 O1 Si1 107.65(15) 2_664 1_555 2_565 Li2 O1 Li2 32.21(16) 8_554 1_555 2_664 Li2 O1 Li1b 122.8(3) 8_554 1_555 6_666 Li2 O1 Li1b 99.0(3) 8_554 1_555 3_566 Li2 O1 Li1a 103.9(4) 8_554 1_555 7_565 Li2 O1 Li1a 78.0(4) 8_554 1_555 9_565 Li2 O1 Si1 107.65(15) 8_554 1_555 2_565 O1 O1 Li2 80.54(12) 3_465 1_555 8_554 O1 O1 Li2 96.49(12) 3_465 1_555 2_664 O1 O1 Li1b 153.5(2) 3_465 1_555 6_666 O1 O1 Li1b 101.66(13) 3_465 1_555 3_566 O1 O1 Li1a 156.17(17) 3_465 1_555 7_565 O1 O1 Li1a 96.17(17) 3_465 1_555 9_565 O1 O1 Si1 35.62(4) 3_465 1_555 2_565 O1 O1 O1 60.000 6_675 1_555 3_465 O1 O1 Li2 96.49(12) 6_675 1_555 8_554 O1 O1 Li2 80.54(12) 6_675 1_555 2_664 O1 O1 Li1b 101.66(13) 6_675 1_555 6_666 O1 O1 Li1b 153.5(2) 6_675 1_555 3_566 O1 O1 Li1a 96.17(17) 6_675 1_555 7_565 O1 O1 Li1a 156.17(17) 6_675 1_555 9_565 O1 O1 Si1 35.62(4) 6_675 1_555 2_565 O2 O1 O1 60.05(3) 1_565 1_555 6_675 O2 O1 O1 60.05(3) 1_565 1_555 3_465 O2 O1 Li2 140.14(13) 1_565 1_555 8_554 O2 O1 Li2 140.14(13) 1_565 1_555 2_664 O2 O1 Li1b 94.8(2) 1_565 1_555 6_666 O2 O1 Li1b 94.8(2) 1_565 1_555 3_566 O2 O1 Li1a 110.0(3) 1_565 1_555 7_565 O2 O1 Li1a 110.0(3) 1_565 1_555 9_565 O2 O1 Si1 34.63(6) 1_565 1_555 2_565 Li2 O1 O2 99.23(7) 11_674 1_555 1_565 Li2 O1 O1 39.37(7) 11_674 1_555 6_675 Li2 O1 O1 74.87(5) 11_674 1_555 3_465 Li2 O1 Li2 62.05(18) 11_674 1_555 8_554 Li2 O1 Li2 41.17(16) 11_674 1_555 2_664 Li2 O1 Li1b 103.6(2) 11_674 1_555 6_666 Li2 O1 Li1b 161.0(3) 11_674 1_555 3_566 Li2 O1 Li1a 86.4(3) 11_674 1_555 7_565 Li2 O1 Li1a 139.9(3) 11_674 1_555 9_565 Li2 O1 Si1 69.66(8) 11_674 1_555 2_565 Li2 O1 Li2 61.60(14) 10_454 1_555 11_674 Li2 O1 O2 99.23(7) 10_454 1_555 1_565 Li2 O1 O1 74.87(5) 10_454 1_555 6_675 Li2 O1 O1 39.37(7) 10_454 1_555 3_465 Li2 O1 Li2 41.17(16) 10_454 1_555 8_554 Li2 O1 Li2 62.05(18) 10_454 1_555 2_664 Li2 O1 Li1b 161.0(3) 10_454 1_555 6_666 Li2 O1 Li1b 103.6(2) 10_454 1_555 3_566 Li2 O1 Li1a 139.9(3) 10_454 1_555 7_565 Li2 O1 Li1a 86.4(3) 10_454 1_555 9_565 Li2 O1 Si1 69.66(8) 10_454 1_555 2_565 Li2 O2 Si1 121.78(13) 6_545 1_555 2_555 Li2 O2 Li2 33.92(16) 12_445 1_555 6_545 Li2 O2 Si1 121.78(13) 12_445 1_555 2_555 Li2 O2 Li2 66.13(19) 1_455 1_555 12_445 Li2 O2 Li2 94.81(18) 1_455 1_555 6_545 Li2 O2 Si1 121.78(13) 1_455 1_555 2_555 Li2 O2 Li2 33.92(16) 5_565 1_555 1_455 Li2 O2 Li2 94.81(18) 5_565 1_555 12_445 Li2 O2 Li2 113.7(3) 5_565 1_555 6_545 Li2 O2 Si1 121.78(13) 5_565 1_555 2_555 Li2 O2 Li2 94.81(18) 4_655 1_555 5_565 Li2 O2 Li2 113.7(3) 4_655 1_555 1_455 Li2 O2 Li2 94.81(18) 4_655 1_555 12_445 Li2 O2 Li2 66.13(19) 4_655 1_555 6_545 Li2 O2 Si1 121.78(13) 4_655 1_555 2_555 Li2 O2 Li2 33.92(16) 3_665 1_555 4_655 Li2 O2 Li2 66.13(19) 3_665 1_555 5_565 Li2 O2 Li2 94.81(18) 3_665 1_555 1_455 Li2 O2 Li2 113.7(3) 3_665 1_555 12_445 Li2 O2 Li2 94.81(18) 3_665 1_555 6_545 Li2 O2 Si1 121.78(13) 3_665 1_555 2_555 O1 O2 Li2 93.13(12) 6_665 1_555 3_665 O1 O2 Li2 110.24(12) 6_665 1_555 4_655 O1 O2 Li2 93.13(12) 6_665 1_555 5_565 O1 O2 Li2 110.24(12) 6_665 1_555 1_455 O1 O2 Li2 152.96(13) 6_665 1_555 12_445 O1 O2 Li2 152.96(13) 6_665 1_555 6_545 O1 O2 Si1 35.20(3) 6_665 1_555 2_555 O1 O2 O1 59.90(5) 1_545 1_555 6_665 O1 O2 Li2 110.24(12) 1_545 1_555 3_665 O1 O2 Li2 93.13(12) 1_545 1_555 4_655 O1 O2 Li2 152.96(13) 1_545 1_555 5_565 O1 O2 Li2 152.96(13) 1_545 1_555 1_455 O1 O2 Li2 110.24(12) 1_545 1_555 12_445 O1 O2 Li2 93.13(12) 1_545 1_555 6_545 O1 O2 Si1 35.20(3) 1_545 1_555 2_555 O1 O2 O1 59.90(5) 3_455 1_555 1_545 O1 O2 O1 59.90(5) 3_455 1_555 6_665 O1 O2 Li2 152.96(13) 3_455 1_555 3_665 O1 O2 Li2 152.96(13) 3_455 1_555 4_655 O1 O2 Li2 110.24(12) 3_455 1_555 5_565 O1 O2 Li2 93.13(12) 3_455 1_555 1_455 O1 O2 Li2 93.13(12) 3_455 1_555 12_445 O1 O2 Li2 110.24(12) 3_455 1_555 6_545 O1 O2 Si1 35.20(3) 3_455 1_555 2_555 O1 Si1 O2 110.16(7) 2_564 1_555 2_554 O1 Si1 O1 108.77(8) 9_664 1_555 2_564 O1 Si1 O2 110.16(7) 9_664 1_555 2_554 O1 Si1 O1 108.77(8) 7_444 1_555 9_664 O1 Si1 O1 108.77(8) 7_444 1_555 2_564 O1 Si1 O2 110.16(7) 7_444 1_555 2_554 Li2 Si1 O1 95.82(10) 3_664 1_555 7_444 Li2 Si1 O1 39.80(10) 3_664 1_555 9_664 Li2 Si1 O1 78.37(9) 3_664 1_555 2_564 Li2 Si1 O2 147.11(9) 3_664 1_555 2_554 Li2 Si1 Li2 21.48(10) 4_654 1_555 3_664 Li2 Si1 O1 78.37(9) 4_654 1_555 7_444 Li2 Si1 O1 39.80(10) 4_654 1_555 9_664 Li2 Si1 O1 95.82(10) 4_654 1_555 2_564 Li2 Si1 O2 147.11(9) 4_654 1_555 2_554 Li2 Si1 Li2 56.11(14) 5_564 1_555 4_654 Li2 Si1 Li2 40.80(14) 5_564 1_555 3_664 Li2 Si1 O1 95.82(10) 5_564 1_555 7_444 Li2 Si1 O1 78.37(9) 5_564 1_555 9_664 Li2 Si1 O1 39.80(10) 5_564 1_555 2_564 Li2 Si1 O2 147.11(9) 5_564 1_555 2_554 Li2 Si1 Li2 21.48(10) 1_454 1_555 5_564 Li2 Si1 Li2 64.68(16) 1_454 1_555 4_654 Li2 Si1 Li2 56.11(14) 1_454 1_555 3_664 Li2 Si1 O1 78.37(9) 1_454 1_555 7_444 Li2 Si1 O1 95.82(10) 1_454 1_555 9_664 Li2 Si1 O1 39.80(10) 1_454 1_555 2_564 Li2 Si1 O2 147.11(9) 1_454 1_555 2_554 Li2 Si1 Li2 56.11(14) 6_544 1_555 1_454 Li2 Si1 Li2 64.68(16) 6_544 1_555 5_564 Li2 Si1 Li2 40.80(14) 6_544 1_555 4_654 Li2 Si1 Li2 56.11(14) 6_544 1_555 3_664 Li2 Si1 O1 39.80(10) 6_544 1_555 7_444 Li2 Si1 O1 78.37(9) 6_544 1_555 9_664 Li2 Si1 O1 95.82(10) 6_544 1_555 2_564 Li2 Si1 O2 147.11(9) 6_544 1_555 2_554 Li2 Si1 Li2 21.48(10) 12_444 1_555 6_544 Li2 Si1 Li2 40.80(14) 12_444 1_555 1_454 Li2 Si1 Li2 56.11(14) 12_444 1_555 5_564 Li2 Si1 Li2 56.11(14) 12_444 1_555 4_654 Li2 Si1 Li2 64.68(16) 12_444 1_555 3_664 Li2 Si1 O1 39.80(10) 12_444 1_555 7_444 Li2 Si1 O1 95.82(10) 12_444 1_555 9_664 Li2 Si1 O1 78.37(9) 12_444 1_555 2_564 Li2 Si1 O2 147.11(9) 12_444 1_555 2_554 Li2 Si1 Li2 116.88(13) 10_444 1_555 12_444 Li2 Si1 Li2 125.20(12) 10_444 1_555 6_544 Li2 Si1 Li2 125.20(12) 10_444 1_555 1_454 Li2 Si1 Li2 140.10(13) 10_444 1_555 5_564 Li2 Si1 Li2 158.94(10) 10_444 1_555 4_654 Li2 Si1 Li2 178.41(8) 10_444 1_555 3_664 Li2 Si1 O1 85.44(9) 10_444 1_555 7_444 Li2 Si1 O1 138.82(11) 10_444 1_555 9_664 Li2 Si1 O1 102.15(8) 10_444 1_555 2_564 Li2 Si1 O2 31.30(8) 10_444 1_555 2_554 Li2 Si1 Li2 38.96(14) 8_544 1_555 10_444 Li2 Si1 Li2 125.20(12) 8_544 1_555 12_444 Li2 Si1 Li2 116.88(13) 8_544 1_555 6_544 Li2 Si1 Li2 158.94(10) 8_544 1_555 1_454 Li2 Si1 Li2 178.41(8) 8_544 1_555 5_564 Li2 Si1 Li2 125.20(12) 8_544 1_555 4_654 Li2 Si1 Li2 140.10(13) 8_544 1_555 3_664 Li2 Si1 O1 85.44(9) 8_544 1_555 7_444 Li2 Si1 O1 102.15(8) 8_544 1_555 9_664 Li2 Si1 O1 138.82(11) 8_544 1_555 2_564 Li2 Si1 O2 31.30(8) 8_544 1_555 2_554 Li2 Si1 Li2 53.48(13) 9_454 1_555 8_544 Li2 Si1 Li2 20.54(10) 9_454 1_555 10_444 Li2 Si1 Li2 125.20(12) 9_454 1_555 12_444 Li2 Si1 Li2 140.10(13) 9_454 1_555 6_544 Li2 Si1 Li2 116.88(13) 9_454 1_555 1_454 Li2 Si1 Li2 125.20(12) 9_454 1_555 5_564 Li2 Si1 Li2 178.41(8) 9_454 1_555 4_654 Li2 Si1 Li2 158.94(10) 9_454 1_555 3_664 Li2 Si1 O1 102.15(8) 9_454 1_555 7_444 Li2 Si1 O1 138.82(11) 9_454 1_555 9_664 Li2 Si1 O1 85.44(9) 9_454 1_555 2_564 Li2 Si1 O2 31.30(8) 9_454 1_555 2_554 Li2 Si1 Li2 61.56(15) 2_654 1_555 9_454 Li2 Si1 Li2 20.54(10) 2_654 1_555 8_544 Li2 Si1 Li2 53.48(13) 2_654 1_555 10_444 Li2 Si1 Li2 140.10(13) 2_654 1_555 12_444 Li2 Si1 Li2 125.20(12) 2_654 1_555 6_544 Li2 Si1 Li2 178.41(8) 2_654 1_555 1_454 Li2 Si1 Li2 158.94(10) 2_654 1_555 5_564 Li2 Si1 Li2 116.88(13) 2_654 1_555 4_654 Li2 Si1 Li2 125.20(12) 2_654 1_555 3_664 Li2 Si1 O1 102.15(8) 2_654 1_555 7_444 Li2 Si1 O1 85.44(9) 2_654 1_555 9_664 Li2 Si1 O1 138.82(11) 2_654 1_555 2_564 Li2 Si1 O2 31.30(8) 2_654 1_555 2_554 Li2 Si1 Li2 53.48(13) 7_564 1_555 2_654 Li2 Si1 Li2 38.96(14) 7_564 1_555 9_454 Li2 Si1 Li2 61.56(15) 7_564 1_555 8_544 Li2 Si1 Li2 53.48(13) 7_564 1_555 10_444 Li2 Si1 Li2 158.94(10) 7_564 1_555 12_444 Li2 Si1 Li2 178.41(8) 7_564 1_555 6_544 Li2 Si1 Li2 125.20(12) 7_564 1_555 1_454 Li2 Si1 Li2 116.88(13) 7_564 1_555 5_564 Li2 Si1 Li2 140.10(13) 7_564 1_555 4_654 Li2 Si1 Li2 125.20(12) 7_564 1_555 3_664 Li2 Si1 O1 138.82(11) 7_564 1_555 7_444 Li2 Si1 O1 102.15(8) 7_564 1_555 9_664 Li2 Si1 O1 85.44(9) 7_564 1_555 2_564 Li2 Si1 O2 31.30(8) 7_564 1_555 2_554 Li2 Si1 Li2 20.54(10) 11_664 1_555 7_564 Li2 Si1 Li2 38.96(14) 11_664 1_555 2_654 Li2 Si1 Li2 53.48(13) 11_664 1_555 9_454 Li2 Si1 Li2 53.48(13) 11_664 1_555 8_544 Li2 Si1 Li2 61.56(15) 11_664 1_555 10_444 Li2 Si1 Li2 178.41(8) 11_664 1_555 12_444 Li2 Si1 Li2 158.94(10) 11_664 1_555 6_544 Li2 Si1 Li2 140.10(13) 11_664 1_555 1_454 Li2 Si1 Li2 125.20(12) 11_664 1_555 5_564 Li2 Si1 Li2 125.20(12) 11_664 1_555 4_654 Li2 Si1 Li2 116.88(13) 11_664 1_555 3_664 Li2 Si1 O1 138.82(11) 11_664 1_555 7_444 Li2 Si1 O1 85.44(9) 11_664 1_555 9_664 Li2 Si1 O1 102.15(8) 11_664 1_555 2_564 Li2 Si1 O2 31.30(8) 11_664 1_555 2_554 Li1b Si1 Li2 109.43(18) 9_555 1_555 11_664 Li1b Si1 Li2 119.24(19) 9_555 1_555 7_564 Li1b Si1 Li2 70.60(17) 9_555 1_555 2_654 Li1b Si1 Li2 96.59(17) 9_555 1_555 9_454 Li1b Si1 Li2 57.86(19) 9_555 1_555 8_544 Li1b Si1 Li2 76.07(17) 9_555 1_555 10_444 Li1b Si1 Li2 69.54(18) 9_555 1_555 12_444 Li1b Si1 Li2 59.19(19) 9_555 1_555 6_544 Li1b Si1 Li2 110.21(18) 9_555 1_555 1_454 Li1b Si1 Li2 123.66(19) 9_555 1_555 5_564 Li1b Si1 Li2 83.01(16) 9_555 1_555 4_654 Li1b Si1 Li2 104.47(17) 9_555 1_555 3_664 Li1b Si1 O1 33.63(14) 9_555 1_555 7_444 Li1b Si1 O1 94.50(10) 9_555 1_555 9_664 Li1b Si1 O1 142.02(12) 9_555 1_555 2_564 Li1b Si1 O2 88.11(18) 9_555 1_555 2_554 Li1b Si1 Li1b 171.0(2) 9_565 1_555 9_555 Li1b Si1 Li2 70.60(17) 9_565 1_555 11_664 Li1b Si1 Li2 57.86(19) 9_565 1_555 7_564 Li1b Si1 Li2 109.43(18) 9_565 1_555 2_654 Li1b Si1 Li2 76.07(17) 9_565 1_555 9_454 Li1b Si1 Li2 119.24(19) 9_565 1_555 8_544 Li1b Si1 Li2 96.59(17) 9_565 1_555 10_444 Li1b Si1 Li2 110.21(18) 9_565 1_555 12_444 Li1b Si1 Li2 123.66(19) 9_565 1_555 6_544 Li1b Si1 Li2 69.54(18) 9_565 1_555 1_454 Li1b Si1 Li2 59.19(19) 9_565 1_555 5_564 Li1b Si1 Li2 104.47(17) 9_565 1_555 4_654 Li1b Si1 Li2 83.01(16) 9_565 1_555 3_664 Li1b Si1 O1 142.02(12) 9_565 1_555 7_444 Li1b Si1 O1 94.50(10) 9_565 1_555 9_664 Li1b Si1 O1 33.63(14) 9_565 1_555 2_564 Li1b Si1 O2 88.11(18) 9_565 1_555 2_554 Li1b Si1 Li1b 51.77(18) 7_455 1_555 9_565 Li1b Si1 Li1b 119.89(3) 7_455 1_555 9_555 Li1b Si1 Li2 96.59(17) 7_455 1_555 11_664 Li1b Si1 Li2 76.07(17) 7_455 1_555 7_564 Li1b Si1 Li2 119.24(19) 7_455 1_555 2_654 Li1b Si1 Li2 57.86(19) 7_455 1_555 9_454 Li1b Si1 Li2 109.43(18) 7_455 1_555 8_544 Li1b Si1 Li2 70.60(17) 7_455 1_555 10_444 Li1b Si1 Li2 83.01(16) 7_455 1_555 12_444 Li1b Si1 Li2 104.47(17) 7_455 1_555 6_544 Li1b Si1 Li2 59.19(19) 7_455 1_555 1_454 Li1b Si1 Li2 69.54(18) 7_455 1_555 5_564 Li1b Si1 Li2 123.66(19) 7_455 1_555 4_654 Li1b Si1 Li2 110.21(18) 7_455 1_555 3_664 Li1b Si1 O1 94.50(10) 7_455 1_555 7_444 Li1b Si1 O1 142.02(12) 7_455 1_555 9_664 Li1b Si1 O1 33.63(14) 7_455 1_555 2_564 Li1b Si1 O2 88.11(18) 7_455 1_555 2_554 Li1b Si1 Li1b 171.0(2) 7_555 1_555 7_455 Li1b Si1 Li1b 119.89(3) 7_555 1_555 9_565 Li1b Si1 Li1b 68.16(18) 7_555 1_555 9_555 Li1b Si1 Li2 76.07(17) 7_555 1_555 11_664 Li1b Si1 Li2 96.59(17) 7_555 1_555 7_564 Li1b Si1 Li2 57.86(19) 7_555 1_555 2_654 Li1b Si1 Li2 119.24(19) 7_555 1_555 9_454 Li1b Si1 Li2 70.60(17) 7_555 1_555 8_544 Li1b Si1 Li2 109.43(18) 7_555 1_555 10_444 Li1b Si1 Li2 104.47(17) 7_555 1_555 12_444 Li1b Si1 Li2 83.01(16) 7_555 1_555 6_544 Li1b Si1 Li2 123.66(19) 7_555 1_555 1_454 Li1b Si1 Li2 110.21(18) 7_555 1_555 5_564 Li1b Si1 Li2 59.19(19) 7_555 1_555 4_654 Li1b Si1 Li2 69.54(18) 7_555 1_555 3_664 Li1b Si1 O1 94.50(10) 7_555 1_555 7_444 Li1b Si1 O1 33.63(14) 7_555 1_555 9_664 Li1b Si1 O1 142.02(12) 7_555 1_555 2_564 Li1b Si1 O2 88.11(18) 7_555 1_555 2_554 Li1b Si1 Li1b 119.89(3) 2_555 1_555 7_555 Li1b Si1 Li1b 68.16(18) 2_555 1_555 7_455 Li1b Si1 Li1b 119.89(3) 2_555 1_555 9_565 Li1b Si1 Li1b 51.77(18) 2_555 1_555 9_555 Li1b Si1 Li2 119.24(19) 2_555 1_555 11_664 Li1b Si1 Li2 109.43(18) 2_555 1_555 7_564 Li1b Si1 Li2 96.59(17) 2_555 1_555 2_654 Li1b Si1 Li2 70.60(17) 2_555 1_555 9_454 Li1b Si1 Li2 76.07(17) 2_555 1_555 8_544 Li1b Si1 Li2 57.86(19) 2_555 1_555 10_444 Li1b Si1 Li2 59.19(19) 2_555 1_555 12_444 Li1b Si1 Li2 69.54(18) 2_555 1_555 6_544 Li1b Si1 Li2 83.01(16) 2_555 1_555 1_454 Li1b Si1 Li2 104.47(17) 2_555 1_555 5_564 Li1b Si1 Li2 110.21(18) 2_555 1_555 4_654 Li1b Si1 Li2 123.66(19) 2_555 1_555 3_664 Li1b Si1 O1 33.63(14) 2_555 1_555 7_444 Li1b Si1 O1 142.02(12) 2_555 1_555 9_664 Li1b Si1 O1 94.50(10) 2_555 1_555 2_564 Li1b Si1 O2 88.11(18) 2_555 1_555 2_554 Li1b Si1 Li1b 171.0(2) 2_665 1_555 2_555 Li1b Si1 Li1b 51.77(18) 2_665 1_555 7_555 Li1b Si1 Li1b 119.89(3) 2_665 1_555 7_455 Li1b Si1 Li1b 68.16(18) 2_665 1_555 9_565 Li1b Si1 Li1b 119.89(3) 2_665 1_555 9_555 Li1b Si1 Li2 57.86(19) 2_665 1_555 11_664 Li1b Si1 Li2 70.60(17) 2_665 1_555 7_564 Li1b Si1 Li2 76.07(17) 2_665 1_555 2_654 Li1b Si1 Li2 109.43(18) 2_665 1_555 9_454 Li1b Si1 Li2 96.59(17) 2_665 1_555 8_544 Li1b Si1 Li2 119.24(19) 2_665 1_555 10_444 Li1b Si1 Li2 123.66(19) 2_665 1_555 12_444 Li1b Si1 Li2 110.21(18) 2_665 1_555 6_544 Li1b Si1 Li2 104.47(17) 2_665 1_555 1_454 Li1b Si1 Li2 83.01(16) 2_665 1_555 5_564 Li1b Si1 Li2 69.54(18) 2_665 1_555 4_654 Li1b Si1 Li2 59.19(19) 2_665 1_555 3_664 Li1b Si1 O1 142.02(12) 2_665 1_555 7_444 Li1b Si1 O1 33.63(14) 2_665 1_555 9_664 Li1b Si1 O1 94.50(10) 2_665 1_555 2_564 Li1b Si1 O2 88.11(18) 2_665 1_555 2_554 Li1a Si1 Li1b 65.01(15) 3_565 1_555 2_665 Li1a Si1 Li1b 123.79(14) 3_565 1_555 2_555 Li1a Si1 Li1b 115.86(14) 3_565 1_555 7_555 Li1a Si1 Li1b 56.93(15) 3_565 1_555 7_455 Li1a Si1 Li1b 13.0(3) 3_565 1_555 9_565 Li1a Si1 Li1b 170.5(3) 3_565 1_555 9_555 Li1a Si1 Li2 80.1(2) 3_565 1_555 11_664 Li1a Si1 Li2 69.7(2) 3_565 1_555 7_564 Li1a Si1 Li2 118.9(2) 3_565 1_555 2_654 Li1a Si1 Li2 88.84(19) 3_565 1_555 9_454 Li1a Si1 Li2 131.2(2) 3_565 1_555 8_544 Li1a Si1 Li2 109.29(19) 3_565 1_555 10_444 Li1a Si1 Li2 100.9(2) 3_565 1_555 12_444 Li1a Si1 Li2 111.9(2) 3_565 1_555 6_544 Li1a Si1 Li2 60.3(2) 3_565 1_555 1_454 Li1a Si1 Li2 47.2(2) 3_565 1_555 5_564 Li1a Si1 Li2 91.8(2) 3_565 1_555 4_654 Li1a Si1 Li2 70.39(19) 3_565 1_555 3_664 Li1a Si1 O1 137.41(18) 3_565 1_555 7_444 Li1a Si1 O1 86.45(13) 3_565 1_555 9_664 Li1a Si1 O1 30.40(13) 3_565 1_555 2_564 Li1a Si1 O2 100.5(2) 3_565 1_555 2_554 Li1a Si1 Li1a 116.76(12) 6_655 1_555 3_565 Li1a Si1 Li1b 56.93(15) 6_655 1_555 2_665 Li1a Si1 Li1b 115.86(14) 6_655 1_555 2_555 Li1a Si1 Li1b 13.0(3) 6_655 1_555 7_555 Li1a Si1 Li1b 170.5(3) 6_655 1_555 7_455 Li1a Si1 Li1b 123.79(14) 6_655 1_555 9_565 Li1a Si1 Li1b 65.01(15) 6_655 1_555 9_555 Li1a Si1 Li2 88.84(19) 6_655 1_555 11_664 Li1a Si1 Li2 109.29(19) 6_655 1_555 7_564 Li1a Si1 Li2 69.7(2) 6_655 1_555 2_654 Li1a Si1 Li2 131.2(2) 6_655 1_555 9_454 Li1a Si1 Li2 80.1(2) 6_655 1_555 8_544 Li1a Si1 Li2 118.9(2) 6_655 1_555 10_444 Li1a Si1 Li2 91.8(2) 6_655 1_555 12_444 Li1a Si1 Li2 70.39(19) 6_655 1_555 6_544 Li1a Si1 Li2 111.9(2) 6_655 1_555 1_454 Li1a Si1 Li2 100.9(2) 6_655 1_555 5_564 Li1a Si1 Li2 47.2(2) 6_655 1_555 4_654 Li1a Si1 Li2 60.3(2) 6_655 1_555 3_664 Li1a Si1 O1 86.45(13) 6_655 1_555 7_444 Li1a Si1 O1 30.40(13) 6_655 1_555 9_664 Li1a Si1 O1 137.41(18) 6_655 1_555 2_564 Li1a Si1 O2 100.5(2) 6_655 1_555 2_554 Li1a Si1 Li1a 59.0(2) 3_555 1_555 6_655 Li1a Si1 Li1a 159.0(4) 3_555 1_555 3_565 Li1a Si1 Li1b 115.86(14) 3_555 1_555 2_665 Li1a Si1 Li1b 56.93(15) 3_555 1_555 2_555 Li1a Si1 Li1b 65.01(15) 3_555 1_555 7_555 Li1a Si1 Li1b 123.79(14) 3_555 1_555 7_455 Li1a Si1 Li1b 170.5(3) 3_555 1_555 9_565 Li1a Si1 Li1b 13.0(3) 3_555 1_555 9_555 Li1a Si1 Li2 118.9(2) 3_555 1_555 11_664 Li1a Si1 Li2 131.2(2) 3_555 1_555 7_564 Li1a Si1 Li2 80.1(2) 3_555 1_555 2_654 Li1a Si1 Li2 109.29(19) 3_555 1_555 9_454 Li1a Si1 Li2 69.7(2) 3_555 1_555 8_544 Li1a Si1 Li2 88.84(19) 3_555 1_555 10_444 Li1a Si1 Li2 60.3(2) 3_555 1_555 12_444 Li1a Si1 Li2 47.2(2) 3_555 1_555 6_544 Li1a Si1 Li2 100.9(2) 3_555 1_555 1_454 Li1a Si1 Li2 111.9(2) 3_555 1_555 5_564 Li1a Si1 Li2 70.39(19) 3_555 1_555 4_654 Li1a Si1 Li2 91.8(2) 3_555 1_555 3_664 Li1a Si1 O1 30.40(13) 3_555 1_555 7_444 Li1a Si1 O1 86.45(13) 3_555 1_555 9_664 Li1a Si1 O1 137.41(18) 3_555 1_555 2_564 Li1a Si1 O2 100.5(2) 3_555 1_555 2_554 Li1a Si1 Li1a 116.76(12) 6_555 1_555 3_555 Li1a Si1 Li1a 159.0(4) 6_555 1_555 6_655 Li1a Si1 Li1a 58.8(2) 6_555 1_555 3_565 Li1a Si1 Li1b 123.79(14) 6_555 1_555 2_665 Li1a Si1 Li1b 65.01(15) 6_555 1_555 2_555 Li1a Si1 Li1b 170.5(3) 6_555 1_555 7_555 Li1a Si1 Li1b 13.0(3) 6_555 1_555 7_455 Li1a Si1 Li1b 56.93(15) 6_555 1_555 9_565 Li1a Si1 Li1b 115.86(14) 6_555 1_555 9_555 Li1a Si1 Li2 109.29(19) 6_555 1_555 11_664 Li1a Si1 Li2 88.84(19) 6_555 1_555 7_564 Li1a Si1 Li2 131.2(2) 6_555 1_555 2_654 Li1a Si1 Li2 69.7(2) 6_555 1_555 9_454 Li1a Si1 Li2 118.9(2) 6_555 1_555 8_544 Li1a Si1 Li2 80.1(2) 6_555 1_555 10_444 Li1a Si1 Li2 70.39(19) 6_555 1_555 12_444 Li1a Si1 Li2 91.8(2) 6_555 1_555 6_544 Li1a Si1 Li2 47.2(2) 6_555 1_555 1_454 Li1a Si1 Li2 60.3(2) 6_555 1_555 5_564 Li1a Si1 Li2 111.9(2) 6_555 1_555 4_654 Li1a Si1 Li2 100.9(2) 6_555 1_555 3_664 Li1a Si1 O1 86.45(13) 6_555 1_555 7_444 Li1a Si1 O1 137.41(18) 6_555 1_555 9_664 Li1a Si1 O1 30.40(13) 6_555 1_555 2_564 Li1a Si1 O2 100.5(2) 6_555 1_555 2_554 Li1a Si1 Li1a 116.76(12) 1_555 1_555 6_555 Li1a Si1 Li1a 116.76(12) 1_555 1_555 3_555 Li1a Si1 Li1a 58.8(2) 1_555 1_555 6_655 Li1a Si1 Li1a 59.0(2) 1_555 1_555 3_565 Li1a Si1 Li1b 13.0(3) 1_555 1_555 2_665 Li1a Si1 Li1b 170.5(3) 1_555 1_555 2_555 Li1a Si1 Li1b 56.93(15) 1_555 1_555 7_555 Li1a Si1 Li1b 115.86(14) 1_555 1_555 7_455 Li1a Si1 Li1b 65.01(15) 1_555 1_555 9_565 Li1a Si1 Li1b 123.79(14) 1_555 1_555 9_555 Li1a Si1 Li2 69.7(2) 1_555 1_555 11_664 Li1a Si1 Li2 80.1(2) 1_555 1_555 7_564 Li1a Si1 Li2 88.84(19) 1_555 1_555 2_654 Li1a Si1 Li2 118.9(2) 1_555 1_555 9_454 Li1a Si1 Li2 109.29(19) 1_555 1_555 8_544 Li1a Si1 Li2 131.2(2) 1_555 1_555 10_444 Li1a Si1 Li2 111.9(2) 1_555 1_555 12_444 Li1a Si1 Li2 100.9(2) 1_555 1_555 6_544 Li1a Si1 Li2 91.8(2) 1_555 1_555 1_454 Li1a Si1 Li2 70.39(19) 1_555 1_555 5_564 Li1a Si1 Li2 60.3(2) 1_555 1_555 4_654 Li1a Si1 Li2 47.2(2) 1_555 1_555 3_664 Li1a Si1 O1 137.41(18) 1_555 1_555 7_444 Li1a Si1 O1 30.40(13) 1_555 1_555 9_664 Li1a Si1 O1 86.45(13) 1_555 1_555 2_564 Li1a Si1 O2 100.5(2) 1_555 1_555 2_554 Li1a Si1 Li1a 159.0(4) 1_445 1_555 1_555 Li1a Si1 Li1a 59.0(2) 1_445 1_555 6_555 Li1a Si1 Li1a 58.8(2) 1_445 1_555 3_555 Li1a Si1 Li1a 116.76(12) 1_445 1_555 6_655 Li1a Si1 Li1a 116.76(12) 1_445 1_555 3_565 Li1a Si1 Li1b 170.5(3) 1_445 1_555 2_665 Li1a Si1 Li1b 13.0(3) 1_445 1_555 2_555 Li1a Si1 Li1b 123.79(14) 1_445 1_555 7_555 Li1a Si1 Li1b 65.01(15) 1_445 1_555 7_455 Li1a Si1 Li1b 115.86(14) 1_445 1_555 9_565 Li1a Si1 Li1b 56.93(15) 1_445 1_555 9_555 Li1a Si1 Li2 131.2(2) 1_445 1_555 11_664 Li1a Si1 Li2 118.9(2) 1_445 1_555 7_564 Li1a Si1 Li2 109.29(19) 1_445 1_555 2_654 Li1a Si1 Li2 80.1(2) 1_445 1_555 9_454 Li1a Si1 Li2 88.84(19) 1_445 1_555 8_544 Li1a Si1 Li2 69.7(2) 1_445 1_555 10_444 Li1a Si1 Li2 47.2(2) 1_445 1_555 12_444 Li1a Si1 Li2 60.3(2) 1_445 1_555 6_544 Li1a Si1 Li2 70.39(19) 1_445 1_555 1_454 Li1a Si1 Li2 91.8(2) 1_445 1_555 5_564 Li1a Si1 Li2 100.9(2) 1_445 1_555 4_654 Li1a Si1 Li2 111.9(2) 1_445 1_555 3_664 Li1a Si1 O1 30.40(13) 1_445 1_555 7_444 Li1a Si1 O1 137.41(18) 1_445 1_555 9_664 Li1a Si1 O1 86.45(13) 1_445 1_555 2_564 Li1a Si1 O2 100.5(2) 1_445 1_555 2_554 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 Cl1 Li1b 2.366(6) 1_555 2_665 Cl1 Li1b 2.366(6) 1_555 7_565 Cl1 Li1b 2.366(6) 1_555 9_565 Cl1 Li2 2.434(4) 1_555 11_664 Cl1 Li2 2.434(4) 1_555 8_554 Cl1 Li2 2.434(4) 1_555 7_564 Cl1 Li2 2.434(4) 1_555 2_664 Cl1 Li2 2.434(4) 1_555 10_554 Cl1 Li2 2.434(4) 1_555 9_564 Cl1 Li1a 2.636(9) 1_555 6_665 Cl1 Li1a 2.636(9) 1_555 1_555 Cl1 Li1a 2.636(9) 1_555 3_565 Cl2 Li2 2.533(3) 1_555 6_555 Cl2 Li2 2.533(3) 1_555 4_665 Cl2 Li2 2.533(3) 1_555 12_555 Cl2 Li2 2.533(3) 1_555 3_665 Cl2 Li2 2.533(3) 1_555 5_565 Cl2 Li2 2.533(3) 1_555 1_565 Cl2 Li1a 2.580(9) 1_555 3_566 Cl2 Li1a 2.580(9) 1_555 1_556 Cl2 Li1a 2.580(9) 1_555 6_666 Cl2 Li1b 2.908(8) 1_555 6_666 Cl2 Li1b 2.908(8) 1_555 1_556 Cl2 Li1b 2.908(8) 1_555 3_566 Li1a Li1b 0.701(14) 1_555 2_665 Li1a O1 1.889(2) 1_555 9_664 Li1a O1 1.889(2) 1_555 7_554 Li1a Li2 2.412(10) 1_555 12_554 Li1a Li2 2.412(10) 1_555 3_664 Li1a Cl2 2.580(9) 1_555 1_554 Li1a Cl1 2.636(9) 1_555 1_555 Li1a Li1b 2.942(7) 1_555 7_555 Li1a Li1b 2.942(7) 1_555 9_665 Li1a Li2 3.017(8) 1_555 6_654 Li1a Li2 3.017(8) 1_555 4_654 Li1a Li1a 3.050(10) 1_555 6_655 Li1a Li1a 3.050(10) 1_555 3_665 Li1a Li1a 3.060(10) 1_555 3_565 Li1a Li1a 3.060(10) 1_555 6_665 Li1a Si1 3.1073(19) 1_555 1_555 Li1a Si1 3.1073(19) 1_555 1_665 Li1b Li1a 0.701(14) 1_555 2_664 Li1b O1 1.931(4) 1_555 3_564 Li1b O1 1.931(4) 1_555 6_664 Li1b Cl1 2.366(6) 1_555 2_664 Li1b Li1b 2.676(8) 1_555 3_565 Li1b Li1b 2.676(8) 1_555 6_665 Li1b Cl2 2.908(8) 1_555 1_554 Li1b Li1a 2.942(7) 1_555 7_564 Li1b Li1a 2.942(7) 1_555 9_564 Li1b Li2 2.945(9) 1_555 3_664 Li1b Li2 2.945(9) 1_555 12_554 Li1b Li2 2.945(9) 1_555 10_553 Li1b Li2 2.945(9) 1_555 11_663 Li1b Si1 3.0649(5) 1_555 2_554 Li1b Si1 3.0649(5) 1_555 2_664 Li2 Li2 1.078(5) 1_555 5_665 Li2 O2 1.847(4) 1_555 1_655 Li2 O1 1.942(4) 1_555 2_665 Li2 Li2 2.016(8) 1_555 12_545 Li2 Li1a 2.412(10) 1_555 6_656 Li2 Cl1 2.434(4) 1_555 2_665 Li2 Cl2 2.533(3) 1_555 1_545 Li2 Li2 2.720(7) 1_555 6_645 Li2 Li2 2.720(7) 1_555 3_765 Li2 Si1 2.892(4) 1_555 1_656 Li2 Li1b 2.945(9) 1_555 6_656 Li2 Li1b 2.945(9) 1_555 7_556 Li2 Li1a 3.017(8) 1_555 3_666 Li2 Li2 3.017(8) 1_555 4_655 Li2 O1 3.020(4) 1_555 7_545 Li2 Si1 3.022(4) 1_555 2_655 Li2 Li2 3.093(8) 1_555 4_755 O1 Si1 1.6325(10) 1_555 2_565 O1 Li1a 1.889(2) 1_555 9_565 O1 Li1a 1.889(2) 1_555 7_565 O1 Li1b 1.931(4) 1_555 3_566 O1 Li1b 1.931(4) 1_555 6_666 O1 Li2 1.942(4) 1_555 2_664 O1 Li2 1.942(4) 1_555 8_554 O1 O1 2.6543(10) 1_555 3_465 O1 O1 2.6543(10) 1_555 6_675 O1 O2 2.658(2) 1_555 1_565 O1 Li2 3.020(4) 1_555 11_674 O1 Li2 3.020(4) 1_555 10_454 O2 Si1 1.609(2) 1_555 2_555 O2 Li2 1.847(4) 1_555 6_545 O2 Li2 1.847(4) 1_555 12_445 O2 Li2 1.847(4) 1_555 1_455 O2 Li2 1.847(4) 1_555 5_565 O2 Li2 1.847(4) 1_555 4_655 O2 Li2 1.847(4) 1_555 3_665 O2 O1 2.658(2) 1_555 6_665 O2 O1 2.658(2) 1_555 1_545 O2 O1 2.658(2) 1_555 3_455 Si1 O2 1.609(2) 1_555 2_554 Si1 O1 1.6325(10) 1_555 2_564 Si1 O1 1.6325(10) 1_555 9_664 Si1 O1 1.6325(10) 1_555 7_444 Si1 Li2 2.892(4) 1_555 3_664 Si1 Li2 2.892(4) 1_555 4_654 Si1 Li2 2.892(4) 1_555 5_564 Si1 Li2 2.892(4) 1_555 1_454 Si1 Li2 2.892(4) 1_555 6_544 Si1 Li2 2.892(4) 1_555 12_444 Si1 Li2 3.022(4) 1_555 10_444 Si1 Li2 3.022(4) 1_555 8_544 Si1 Li2 3.022(4) 1_555 9_454 Si1 Li2 3.022(4) 1_555 2_654 Si1 Li2 3.022(4) 1_555 7_564 Si1 Li2 3.022(4) 1_555 11_664 Si1 Li1b 3.0649(5) 1_555 9_555 Si1 Li1b 3.0649(5) 1_555 9_565 Si1 Li1b 3.0649(5) 1_555 7_455 Si1 Li1b 3.0649(5) 1_555 7_555 Si1 Li1b 3.0649(5) 1_555 2_555 Si1 Li1b 3.0649(5) 1_555 2_665 Si1 Li1a 3.1073(19) 1_555 3_565 Si1 Li1a 3.1073(19) 1_555 6_655 Si1 Li1a 3.1073(19) 1_555 3_555 Si1 Li1a 3.1073(19) 1_555 6_555 Si1 Li1a 3.1073(19) 1_555 1_555 Si1 Li1a 3.1073(19) 1_555 1_445 loop_ _pd_proc_point_id _pd_meas_2theta_scan _pd_proc_d_spacing _pd_proc_intensity_total _pd_calc_intensity_total _pd_proc_ls_weight 0 8.00000 5.92487 47561.18935(218) 48993.47321 1.00000 1 8.00400 5.92191 47416.84177(218) 48970.73115 1.00000 2 8.00800 5.91896 47607.75244(218) 48948.22058 1.00000 3 8.01200 5.91601 47480.58338(218) 48925.94201 1.00000 4 8.01600 5.91306 47623.20869(218) 48903.89592 1.00000 5 8.02000 5.91012 47736.78116(218) 48882.08280 1.00000 6 8.02400 5.90718 47813.08343(219) 48860.50309 1.00000 7 8.02800 5.90424 47652.19085(218) 48839.15725 1.00000 8 8.03200 5.90130 47915.10502(219) 48818.04571 1.00000 9 8.03600 5.89837 47828.22749(219) 48797.16890 1.00000 10 8.04000 5.89544 47732.13206(218) 48776.52721 1.00000 11 8.04400 5.89251 47510.76612(218) 48756.12105 1.00000 12 8.04800 5.88959 47509.66422(218) 48735.95079 1.00000 13 8.05200 5.88667 47527.40685(218) 48716.01680 1.00000 14 8.05600 5.88375 47566.69794(218) 48696.31944 1.00000 15 8.06000 5.88084 47259.39398(217) 48676.85904 1.00000 16 8.06400 5.87792 47487.82926(218) 48657.63594 1.00000 17 8.06800 5.87501 47457.83128(218) 48638.65046 1.00000 18 8.07200 5.87211 47515.64549(218) 48619.90289 1.00000 19 8.07600 5.86920 47282.85685(217) 48601.39353 1.00000 20 8.08000 5.86630 47095.92302(217) 48583.12265 1.00000 21 8.08400 5.86341 47569.26064(218) 48565.09054 1.00000 22 8.08800 5.86051 47497.75915(218) 48547.29743 1.00000 23 8.09200 5.85762 47615.44456(218) 48529.74358 1.00000 24 8.09600 5.85473 47755.93325(219) 48512.42921 1.00000 25 8.10000 5.85184 47524.38945(218) 48495.35455 1.00000 26 8.10400 5.84896 47402.74878(218) 48478.51981 1.00000 27 8.10800 5.84608 47471.12740(218) 48461.92517 1.00000 28 8.11200 5.84320 47536.60739(218) 48445.57083 1.00000 29 8.11600 5.84033 47645.67306(218) 48429.45697 1.00000 30 8.12000 5.83745 47771.95415(219) 48413.58374 1.00000 31 8.12400 5.83458 47965.75756(219) 48397.95129 1.00000 32 8.12800 5.83172 47495.74528(218) 48382.55978 1.00000 33 8.13200 5.82885 47518.94140(218) 48367.40932 1.00000 34 8.13600 5.82599 47491.10807(218) 48352.50004 1.00000 35 8.14000 5.82313 47820.48265(219) 48337.83206 1.00000 36 8.14400 5.82028 47771.71463(219) 48323.40546 1.00000 37 8.14800 5.81743 47624.59465(218) 48309.22033 1.00000 38 8.15200 5.81458 47523.66649(218) 48295.27677 1.00000 39 8.15600 5.81173 47344.10846(218) 48281.57483 1.00000 40 8.16000 5.80889 47741.59249(218) 48268.11457 1.00000 41 8.16400 5.80604 47524.25088(218) 48254.89604 1.00000 42 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2.98301 35144.54339(187) 36648.79703 1.00000 1983 15.93200 2.98226 35196.32836(188) 36489.49596 1.00000 1984 15.93600 2.98152 34799.79448(187) 36339.86070 1.00000 1985 15.94000 2.98077 35008.17973(187) 36199.06889 1.00000 1986 15.94400 2.98003 34792.52951(187) 36066.38202 1.00000 1987 15.94800 2.97929 35161.25140(188) 35941.13572 1.00000 1988 15.95200 2.97855 34895.56303(187) 35822.73120 1.00000 1989 15.95600 2.97780 34771.40626(186) 35710.62789 1.00000 1990 15.96000 2.97706 34702.98660(186) 35604.33695 1.00000 1991 15.96400 2.97632 35003.09571(187) 35503.41553 1.00000 1992 15.96800 2.97558 34889.51292(187) 35407.46183 1.00000 1993 15.97200 2.97484 34742.64741(186) 35316.11068 1.00000 1994 15.97600 2.97410 34619.39744(186) 35229.02970 1.00000 1995 15.98000 2.97336 35199.91400(188) 35145.91588 1.00000 1996 15.98400 2.97262 34928.50693(187) 35066.49257 1.00000 1997 15.98800 2.97188 35188.43286(188) 34990.50684 1.00000 1998 15.99200 2.97114 35176.26680(188) 34917.72707 1.00000 1999 15.99600 2.97041 35158.28348(188) 34847.94091 1.00000 2000 16.00000 2.96967 35309.17040(188) 34780.95339 1.00000 2001 16.00400 2.96893 35480.42010(188) 34716.58525 1.00000 2002 16.00800 2.96819 35300.34061(188) 34654.67148 1.00000 2003 16.01200 2.96746 35686.38692(189) 34595.06001 1.00000 2004 16.01600 2.96672 35527.70662(188) 34537.61049 1.00000 2005 16.02000 2.96599 35732.84147(189) 34482.19325 1.00000 2006 16.02400 2.96525 35901.38679(189) 34428.68834 1.00000 2007 16.02800 2.96451 35719.87288(189) 34376.98472 1.00000 2008 16.03200 2.96378 35491.86706(188) 34326.97942 1.00000 2009 16.03600 2.96305 35668.87101(189) 34278.57689 1.00000 2010 16.04000 2.96231 35469.15397(188) 34231.68836 1.00000 2011 16.04400 2.96158 35815.52966(189) 34186.23129 1.00000 2012 16.04800 2.96084 35424.38379(188) 34142.12886 1.00000 2013 16.05200 2.96011 35469.69610(188) 34099.30946 1.00000 2014 16.05600 2.95938 35402.64012(188) 34057.70634 1.00000 2015 16.06000 2.95865 34871.07226(187) 34017.25717 1.00000 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1.00000 15369 69.47600 0.72531 15612.79814(125) 15815.59697 1.00000 15370 69.48000 0.72527 15696.13168(125) 15741.50733 1.00000 15371 69.48400 0.72523 15514.82979(125) 15676.94817 1.00000 15372 69.48800 0.72520 15506.40213(125) 15620.95067 1.00000 15373 69.49200 0.72516 15256.48431(124) 15572.59517 1.00000 15374 69.49600 0.72512 15278.74701(124) 15531.02920 1.00000 15375 69.50000 0.72509 15237.84654(123) 15495.47949 1.00000 15376 69.50400 0.72505 15217.82420(123) 15465.25915 1.00000 15377 69.50800 0.72502 15357.14100(124) 15439.77132 1.00000 15378 69.51200 0.72498 15132.17074(123) 15418.50985 1.00000 15379 69.51600 0.72494 15145.43059(123) 15401.05797 1.00000 15380 69.52000 0.72491 15160.62128(123) 15387.08584 1.00000 15381 69.52400 0.72487 15057.53764(123) 15376.34752 1.00000 15382 69.52800 0.72483 15128.96569(123) 15368.67813 1.00000 15383 69.53200 0.72480 15042.79920(123) 15363.99164 1.00000 15384 69.53600 0.72476 15176.11702(123) 15362.27956 1.00000 15385 69.54000 0.72472 14950.59266(122) 15363.61068 1.00000 15386 69.54400 0.72469 14792.90984(122) 15368.13170 1.00000 15387 69.54800 0.72465 14722.93799(121) 15376.06835 1.00000 15388 69.55200 0.72461 14982.00931(122) 15387.72661 1.00000 15389 69.55600 0.72458 15127.98719(123) 15403.49316 1.00000 15390 69.56000 0.72454 15089.55910(123) 15423.83436 1.00000 15391 69.56400 0.72451 15126.52819(123) 15449.29277 1.00000 15392 69.56800 0.72447 15132.33325(123) 15480.48041 1.00000 15393 69.57200 0.72443 15128.37527(123) 15518.06786 1.00000 15394 69.57600 0.72440 15215.96782(123) 15562.76822 1.00000 15395 69.58000 0.72436 15331.75931(124) 15615.31525 1.00000 15396 69.58400 0.72432 15421.44409(124) 15676.43407 1.00000 15397 69.58800 0.72429 15620.08325(125) 15746.80259 1.00000 15398 69.59200 0.72425 15611.30048(125) 15826.99984 1.00000 15399 69.59600 0.72421 15679.97660(125) 15917.43561 1.00000 15400 69.60000 0.72418 15885.87780(126) 16018.25241 1.00000 15401 69.60400 0.72414 16148.51584(127) 16129.18811 1.00000 15402 69.60800 0.72410 16315.68085(128) 16249.38675 1.00000 15403 69.61200 0.72407 16482.79255(128) 16377.15029 1.00000 15404 69.61600 0.72403 16770.16568(129) 16509.64259 1.00000 15405 69.62000 0.72400 17227.44856(131) 16642.59506 1.00000 15406 69.62400 0.72396 17304.36436(132) 16770.12376 1.00000 15407 69.62800 0.72392 17452.69592(132) 16884.83147 1.00000 15408 69.63200 0.72389 17563.17686(133) 16978.38518 1.00000 15409 69.63600 0.72385 17209.48113(131) 17042.65788 1.00000 15410 69.64000 0.72381 17140.97758(131) 17071.27129 1.00000 15411 69.64400 0.72378 17156.17181(131) 17061.07085 1.00000 15412 69.64800 0.72374 17242.70106(131) 17012.93630 1.00000 15413 69.65200 0.72371 17046.57090(131) 16931.55528 1.00000 15414 69.65600 0.72367 16952.42261(130) 16824.26791 1.00000 15415 69.66000 0.72363 16812.91117(130) 16699.49355 1.00000 15416 69.66400 0.72360 16423.56217(128) 16565.31764 1.00000 15417 69.66800 0.72356 16438.26330(128) 16428.58436 1.00000 15418 69.67200 0.72352 16161.35346(127) 16294.53683 1.00000 15419 69.67600 0.72349 15954.98271(126) 16166.85590 1.00000 15420 69.68000 0.72345 15878.18861(126) 16047.90442 1.00000 15421 69.68400 0.72341 15836.28590(126) 15939.02835 1.00000 15422 69.68800 0.72338 15803.00293(126) 15840.83203 1.00000 15423 69.69200 0.72334 15647.90021(125) 15753.39621 1.00000 15424 69.69600 0.72331 15663.17891(125) 15676.43663 1.00000 15425 69.70000 0.72327 15463.20027(124) 15609.41269 1.00000 15426 69.70400 0.72323 15545.45693(125) 15551.59792 1.00000 15427 69.70800 0.72320 15601.52713(125) 15502.12216 1.00000 15428 69.71200 0.72316 15551.76500(125) 15459.99385 1.00000 15429 69.71600 0.72312 15432.43571(124) 15424.11097 1.00000 15430 69.72000 0.72309 15340.97340(124) 15393.27175 1.00000 15431 69.72400 0.72305 15227.69322(123) 15366.20018 1.00000 15432 69.72800 0.72302 15148.86334(123) 15341.60205 1.00000 15433 69.73200 0.72298 15240.50319(123) 15318.25962 1.00000 15434 69.73600 0.72294 15311.25638(124) 15295.15378 1.00000 15435 69.74000 0.72291 15376.33413(124) 15271.57923 1.00000 15436 69.74400 0.72287 15087.44894(123) 15247.20634 1.00000 15437 69.74800 0.72283 15047.10851(123) 15222.06660 1.00000 15438 69.75200 0.72280 14981.94546(122) 15196.42601 1.00000 15439 69.75600 0.72276 14953.98914(122) 15170.77947 1.00000 15440 69.76000 0.72273 15171.86507(123) 15145.55155 1.00000 15441 69.76400 0.72269 14920.01942(122) 15121.13951 1.00000 15442 69.76800 0.72265 14933.71516(122) 15097.84693 1.00000 15443 69.77200 0.72262 14984.34930(122) 15075.88065 1.00000 15444 69.77600 0.72258 14990.12580(122) 15055.36544 1.00000 15445 69.78000 0.72255 14785.42261(122) 15036.36409 1.00000 15446 69.78400 0.72251 14894.16775(122) 15018.89894 1.00000 15447 69.78800 0.72247 14802.67261(122) 15002.95892 1.00000 15448 69.79200 0.72244 14897.38340(122) 14988.53992 1.00000 15449 69.79600 0.72240 14738.52713(121) 14975.61481 1.00000 15450 69.80000 0.72236 14770.96157(122) 14964.16694 1.00000 15451 69.80400 0.72233 14970.56045(122) 14954.18991 1.00000 15452 69.80800 0.72229 14931.25851(122) 14945.69335 1.00000 15453 69.81200 0.72226 14671.05160(121) 14938.70852 1.00000 15454 69.81600 0.72222 14753.82948(121) 14933.29395 1.00000 15455 69.82000 0.72218 14822.43129(122) 14929.54134 1.00000 15456 69.82400 0.72215 14824.19096(122) 14927.58163 1.00000 15457 69.82800 0.72211 14860.69814(122) 14927.59120 1.00000 15458 69.83200 0.72208 14823.23943(122) 14929.79791 1.00000 15459 69.83600 0.72204 14936.65425(122) 14934.48682 1.00000 15460 69.84000 0.72200 14772.27099(122) 14942.00498 1.00000 15461 69.84400 0.72197 14874.05447(122) 14952.76500 1.00000 15462 69.84800 0.72193 14892.37899(122) 14967.24645 1.00000 15463 69.85200 0.72190 14819.48053(122) 14985.99478 1.00000 15464 69.85600 0.72186 14830.96487(122) 15009.61677 1.00000 15465 69.86000 0.72182 14988.71109(122) 15038.77097 1.00000 15466 69.86400 0.72179 14803.61064(122) 15074.15515 1.00000 15467 69.86800 0.72175 15052.86015(123) 15116.43354 1.00000 15468 69.87200 0.72171 15199.28871(123) 15166.43826 1.00000 15469 69.87600 0.72168 15295.32128(124) 15224.78342 1.00000 15470 69.88000 0.72164 15272.38438(124) 15292.05799 1.00000 15471 69.88400 0.72161 15352.92684(124) 15368.70189 1.00000 15472 69.88800 0.72157 15576.23670(125) 15454.91763 1.00000 15473 69.89200 0.72153 15762.56790(126) 15550.54609 1.00000 15474 69.89600 0.72150 15946.29574(126) 15654.88514 1.00000 15475 69.90000 0.72146 16209.47060(127) 15766.49639 1.00000 15476 69.90400 0.72143 16447.47633(128) 15882.68111 1.00000 15477 69.90800 0.72139 16574.53458(129) 16000.04638 1.00000 15478 69.91200 0.72135 16834.91379(130) 16113.06186 1.00000 15479 69.91600 0.72132 16545.37328(129) 16214.93684 1.00000 15480 69.92000 0.72128 16586.56543(129) 16297.87512 1.00000 15481 69.92400 0.72125 16633.20670(129) 16354.06460 1.00000 15482 69.92800 0.72121 16671.26809(129) 16377.08454 1.00000 15483 69.93200 0.72117 16495.31579(128) 16363.33825 1.00000 15484 69.93600 0.72114 16433.70678(128) 16312.95710 1.00000 15485 69.94000 0.72110 16282.15192(128) 16229.76964 1.00000 15486 69.94400 0.72107 16360.55421(128) 16120.34906 1.00000 15487 69.94800 0.72103 15834.52952(126) 15992.56370 1.00000 15488 69.95200 0.72099 15870.07954(126) 15854.18439 1.00000 15489 69.95600 0.72096 15722.84043(125) 15711.92669 1.00000 15490 69.96000 0.72092 15752.90366(126) 15571.01614 1.00000 15491 69.96400 0.72089 15799.92845(126) 15435.17809 1.00000 15492 69.96800 0.72085 15542.90006(125) 15306.78377 1.00000 15493 69.97200 0.72081 15273.62819(124) 15187.32922 1.00000 15494 69.97600 0.72078 15612.76115(125) 15077.43068 1.00000 15495 69.98000 0.72074 15249.98883(123) 14977.23280 1.00000 15496 69.98400 0.72071 15227.42245(123) 14886.53092 1.00000 15497 69.98800 0.72067 15222.30425(123) 14804.89273 1.00000 15498 69.99200 0.72063 15094.83295(123) 14731.74501 1.00000 15499 69.99600 0.72060 15003.84437(122) 14666.43593 1.00000 15500 70.00000 0.72056 15106.15399(123) 14608.26792 1.00000 loop_ _pd_phase_id _pd_phase_mass_% 1 95.88 loop_ _refln_index_h _refln_index_k _refln_index_l _pd_refln_phase_id _refln_d_spacing _refln_F_squared_calc _refln_F_squared_meas _refln_F_squared_sigma _refln_include_status 0 1 0 1 5.29209 113.96128 114.62319 5627417.03508 o 0 0 2 1 5.01033 19.45427 19.00691 1593649.28934 o 0 1 1 1 4.67958 25.52942 26.77137 3403601.58798 o 0 1 2 1 3.63837 562.84215 561.68270 2679459.95352 o 1 1 0 1 3.05539 995.49253 991.79269 2346007.79324 o 0 1 3 1 2.82464 895.93960 891.92109 5224376.64735 o 0 2 0 1 2.64604 1.99840 2.83106 4711193.27505 o 1 1 2 1 2.60861 917.98084 890.08378 23181542.40353 o 0 2 1 1 2.55835 931.18357 869.62670 35786674.36828 o 0 0 4 1 2.50516 275.33178 253.23450 30792973.87031 o 0 2 2 1 2.33979 346.83778 327.42739 27467932.40685 o 0 1 4 1 2.26428 200.20916 180.64380 34739543.58607 o 0 2 3 1 2.07410 35.73839 44.30115 37053756.41441 o 2 1 0 1 2.00022 0.25551 0.97810 4696244.22918 o 2 1 1 1 1.96153 7.14290 6.64596 3894853.95881 o 1 1 4 1 1.93724 20.94380 22.24279 7462020.90942 o 0 1 5 1 1.87423 232.45715 249.94245 24750406.75411 o 2 1 2 1 1.85766 408.92010 376.15733 40756428.99465 o 0 2 4 1 1.81918 67.24564 62.72532 7278583.18868 o 0 3 0 1 1.76403 559.65367 533.37772 30462542.49017 o 0 3 1 1 1.73732 121.12083 99.40437 67153448.71931 o 2 1 3 1 1.71606 1084.92973 1040.77460 37145972.38945 o 0 0 6 1 1.67011 146.64698 129.96699 55422713.71114 o 0 3 2 1 1.66391 513.73614 469.68672 65549855.72711 o 0 2 5 1 1.59761 1013.05557 893.13890 123127036.45885 o 0 1 6 1 1.59268 189.51607 168.32371 46284243.18837 o 2 1 4 1 1.56310 56.88709 56.59885 228906.23963 o 0 3 3 1 1.55986 49.61625 42.12801 42628740.83471 o 2 2 0 1 1.52769 1418.27292 1272.03245 191829063.44869 o 3 1 0 1 1.46776 85.47925 51.01593 146964504.03690 o 1 1 6 1 1.46547 288.14321 229.22996 108140946.31341 o 2 2 2 1 1.46128 134.32232 93.82348 134289739.72311 o 3 1 1 1 1.45227 49.86802 52.64656 17235739.27073 o 0 3 4 1 1.44233 50.45345 41.72629 43214161.19406 o 2 1 5 1 1.41575 128.03713 163.65103 165844786.97887 o 0 2 6 1 1.41232 627.89113 504.31203 274665503.95354 o 3 1 2 1 1.40856 376.43828 362.41060 15876106.51756 o 0 1 7 1 1.38186 96.18085 92.52255 21664962.78119 o 3 1 3 1 1.34375 381.04736 388.41096 13133405.88257 o 0 3 5 1 1.32415 52.05161 34.47967 75290060.45623 o 0 4 0 1 1.32302 33.34309 14.54150 97531476.74757 o 0 4 1 1 1.31164 177.88079 149.46422 113007650.07186 o 2 2 4 1 1.30430 403.28907 299.79547 272118449.24222 o 2 1 6 1 1.28199 697.18149 533.21333 338435088.49624 o 0 4 2 1 1.27918 106.54891 103.88807 22514387.28686 o 3 1 4 1 1.26641 199.98240 149.30044 192993459.83734 o 0 2 7 1 1.25907 8.10803 2.74876 34147774.75539 o 0 0 8 1 1.25258 54.24879 49.52234 28271241.65418 o 0 4 3 1 1.23005 35.10728 49.73587 81431518.63786 o 0 1 8 1 1.21890 0.55085 1.10095 3571882.58742 o 3 2 0 1 1.21409 138.89581 79.12758 248693499.97077 o 0 3 6 1 1.21279 163.92441 129.75790 98779364.50672 o 3 2 1 1 1.20527 40.15203 38.83318 13966895.31485 o 3 1 5 1 1.18415 281.98252 289.66013 55430491.64111 o 3 2 2 1 1.17994 697.87595 553.36278 319726583.56601 o 0 4 4 1 1.16990 137.76062 94.37083 207723109.67898 o 2 1 7 1 1.16411 276.65451 231.15064 144985683.08185 o 1 1 8 1 1.15897 591.11916 523.42766 141935274.87078 o 4 1 0 1 1.15483 693.12693 605.70615 181997678.03957 o 4 1 1 1 1.14724 71.90072 44.99888 143603450.97559 o 3 2 3 1 1.14105 374.63469 329.91305 100846034.96771 o 0 2 8 1 1.13214 43.03512 24.66985 95965196.89755 o 2 2 6 1 1.12723 326.27334 247.06697 234453833.17437 o 4 1 2 1 1.12532 306.72273 267.11953 110621951.96982 o 0 3 7 1 1.11156 20.08023 13.40465 38102613.57799 o 0 4 5 1 1.10413 322.56980 274.37027 131127383.97785 o 3 1 6 1 1.10250 273.50254 215.87447 181618473.95317 o 3 2 4 1 1.09255 256.54510 167.93668 295325957.76653 o 4 1 3 1 1.09144 32.64169 22.71223 41324554.80608 o 0 1 9 1 1.08955 12.70638 10.50327 11777199.26488 o 2 1 8 1 1.06160 24.45090 10.16887 83216187.79986 o 0 5 0 1 1.05842 0.12855 0.83547 4675253.30151 o 0 5 1 1 1.05256 1.85050 0.04759 11847320.09627 o 4 1 4 1 1.04876 92.37755 66.78681 131400768.70714 o 3 2 5 1 1.03841 310.64827 276.33009 81234661.48559 o 0 4 6 1 1.03705 201.63121 158.91026 166268281.59864 o 0 5 2 1 1.03556 58.28932 50.13292 40054089.07373 o 0 2 9 1 1.02625 33.26505 18.56456 87989791.17194 o 3 1 7 1 1.02481 62.78604 65.70291 17321252.03292 o 0 3 8 1 1.02130 596.18690 469.10358 350957854.30293 o 3 3 0 1 1.01846 305.85679 262.21685 138657330.98049 o 0 5 3 1 1.00897 321.15682 242.59130 279520864.25312 o 0 0 10 1 1.00207 38.19276 24.95303 72518947.42239 o 4 1 5 1 1.00060 44.34938 22.26052 115659481.15487 o 4 2 0 1 1.00011 30.46144 10.12691 113081228.34125 o 3 3 2 1 0.99805 78.85475 64.57694 78627132.11896 o 4 2 1 1 0.99517 128.38002 102.84699 135438120.55003 o 0 1 10 1 0.98457 54.06402 55.46887 5609287.92103 o 3 2 6 1 0.98203 194.73929 122.60795 266828320.13926 o 4 2 2 1 0.98076 319.27474 228.54327 298556007.45977 o 0 5 4 1 0.97497 28.98790 22.71832 39669715.15975 o 2 1 9 1 0.97284 71.35266 47.17036 127157527.54512 o 0 4 7 1 0.97161 0.45720 1.24087 5220284.20119 o 2 2 8 1 0.96862 136.34905 144.65518 49211451.49690 o 4 2 3 1 0.95809 21.32357 53.52999 200171378.57117 o 3 1 8 1 0.95279 19.38720 5.98980 80683526.16014 o 1 1 10 1 0.95216 2.38265 0.75937 9823804.64849 o 5 1 0 1 0.95049 2.95811 0.27515 15703972.87872 o 4 1 6 1 0.94986 233.59240 158.56793 305216255.78895 o 5 1 1 1 0.94624 26.39764 26.18950 3942469.33975 o 3 3 4 1 0.94347 45.65895 33.19122 67997532.53312 o 0 3 9 1 0.94155 8.41431 4.39039 25506573.12054 o 0 2 10 1 0.93712 218.15805 152.92404 301119444.67390 o 0 5 5 1 0.93592 15.89497 24.01105 55245592.49410 o 5 1 2 1 0.93383 177.26733 134.03967 224239873.98224 o 4 2 4 1 0.92883 95.09799 65.60756 151247590.01683 o 3 2 7 1 0.92592 41.32085 38.79002 11955734.96352 o 5 1 3 1 0.91419 134.26881 146.79744 54486542.76977 o 0 4 8 1 0.90959 75.46131 24.86162 282846538.79406 o 4 1 7 1 0.89882 10.99098 5.27218 36688871.38960 o 0 1 11 1 0.89776 18.57749 23.02103 31932775.20820 o 2 1 10 1 0.89592 280.03155 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