#------------------------------------------------------------------------------ #$Date: 2013-12-29 13:49:26 +0200 (Sun, 29 Dec 2013) $ #$Revision: 91935 $ #$URL: file:///home/coder/svn-repositories/cod/cif/4/00/16/4001667.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_4001667 loop_ _publ_author_name 'Kaib, Thomas' 'Haddadpour, Sima' 'Kapitein, Manuel' 'Bron, Philipp' 'Schr\"oder, Cornelia' 'Eckert, Hellmut' 'Roling, Bernhard' 'Dehnen, Stefanie' _publ_section_title ; New Lithium Chalcogenidotetrelates, LiChT: Synthesis and Characterization of the Li+-Conducting Tetralithiumortho-Sulfidostannate Li4SnS4 ; _journal_issue 11 _journal_name_full 'Chemistry of Materials' _journal_page_first 2211 _journal_volume 24 _journal_year 2012 _chemical_formula_sum 'C13 H52 Li4 O13 S4 Sn' _chemical_formula_weight 691.24 _chemical_name_systematic ; ? ; _space_group_IT_number 14 _symmetry_cell_setting monoclinic _symmetry_space_group_name_Hall '-P 2ybc' _symmetry_space_group_name_H-M 'P 1 21/c 1' _atom_sites_solution_hydrogens geom _atom_sites_solution_primary direct _atom_sites_solution_secondary difmap _audit_creation_method SHELXL-97 _cell_angle_alpha 90.00 _cell_angle_beta 98.46(3) _cell_angle_gamma 90.00 _cell_formula_units_Z 4 _cell_length_a 10.849(2) _cell_length_b 23.029(5) _cell_length_c 14.610(3) _cell_measurement_temperature 193(2) _cell_volume 3610.5(13) _computing_structure_refinement 'SHELXL-97 (Sheldrick, 1997)' _computing_structure_solution 'SHELXS-97 (Sheldrick, 1990)' _diffrn_ambient_temperature 193(2) _diffrn_measured_fraction_theta_full 0.997 _diffrn_measured_fraction_theta_max 0.997 _diffrn_radiation_monochromator graphite _diffrn_radiation_source 'fine-focus sealed tube' _diffrn_radiation_type MoK\a _diffrn_radiation_wavelength 0.71073 _diffrn_reflns_av_R_equivalents 0.1316 _diffrn_reflns_av_sigmaI/netI 0.0793 _diffrn_reflns_limit_h_max 13 _diffrn_reflns_limit_h_min -13 _diffrn_reflns_limit_k_max 28 _diffrn_reflns_limit_k_min -28 _diffrn_reflns_limit_l_max 18 _diffrn_reflns_limit_l_min -18 _diffrn_reflns_number 49422 _diffrn_reflns_theta_full 26.00 _diffrn_reflns_theta_max 26.00 _diffrn_reflns_theta_min 2.36 _exptl_absorpt_coefficient_mu 0.981 _exptl_absorpt_correction_T_max 0.319 _exptl_absorpt_correction_T_min 0.216 _exptl_absorpt_correction_type numerical _exptl_absorpt_process_details ; XPREP by Bruker ; _exptl_crystal_colour colorless _exptl_crystal_density_diffrn 1.272 _exptl_crystal_density_method 'not measured' _exptl_crystal_description block _exptl_crystal_F_000 1440 _exptl_crystal_size_max 0.25 _exptl_crystal_size_mid 0.20 _exptl_crystal_size_min 0.20 _refine_diff_density_max 0.739 _refine_diff_density_min -0.488 _refine_diff_density_rms 0.069 _refine_ls_extinction_method none _refine_ls_goodness_of_fit_ref 0.802 _refine_ls_hydrogen_treatment mixed _refine_ls_matrix_type full _refine_ls_number_parameters 448 _refine_ls_number_reflns 7081 _refine_ls_number_restraints 0 _refine_ls_restrained_S_all 0.802 _refine_ls_R_factor_all 0.0479 _refine_ls_R_factor_gt 0.0294 _refine_ls_shift/su_max 0.002 _refine_ls_shift/su_mean 0.000 _refine_ls_structure_factor_coef Fsqd _refine_ls_weighting_details 'calc w=1/[\s^2^(Fo^2^)+(0.0147P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3' _refine_ls_weighting_scheme calc _refine_ls_wR_factor_gt 0.0579 _refine_ls_wR_factor_ref 0.0597 _reflns_number_gt 4808 _reflns_number_total 7081 _reflns_threshold_expression >2sigma(I) _[local]_cod_data_source_file cm3011315_si_002.cif _[local]_cod_data_source_block compound3 _[local]_cod_cif_authors_sg_H-M 'P 2(1) / c' _cod_database_code 4001667 loop_ _symmetry_equiv_pos_as_xyz 'x, y, z' '-x, y+1/2, -z+1/2' '-x, -y, -z' 'x, -y-1/2, z-1/2' loop_ _atom_site_label _atom_site_type_symbol _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv _atom_site_adp_type _atom_site_occupancy _atom_site_symmetry_multiplicity _atom_site_calc_flag _atom_site_refinement_flags _atom_site_disorder_assembly _atom_site_disorder_group Sn1 Sn 0.171143(15) 0.388852(8) 0.689994(13) 0.02950(6) Uani 1 1 d . . . S1 S 0.27774(6) 0.45872(3) 0.61144(5) 0.03534(17) Uani 1 1 d . . . O1 O 0.5389(2) 0.39892(11) 0.59665(18) 0.0520(7) Uani 1 1 d . . . Li1 Li -0.1119(4) 0.4789(2) 0.4571(4) 0.0400(11) Uani 1 1 d . . . H1O H 0.486(3) 0.4114(17) 0.605(3) 0.061(14) Uiso 1 1 d . . . S2 S 0.31536(6) 0.34017(3) 0.80281(5) 0.03300(16) Uani 1 1 d . . . O2 O -0.05667(17) 0.50485(9) 0.58684(15) 0.0405(5) Uani 1 1 d . . . C2 C -0.1266(3) 0.55217(16) 0.6211(3) 0.0522(9) Uani 1 1 d . . . Li2 Li 0.1690(4) 0.2278(2) 0.3552(4) 0.0485(13) Uani 1 1 d . . . H2A H -0.088(3) 0.5627(17) 0.688(3) 0.090(13) Uiso 1 1 d . . . H2B H -0.130(3) 0.5863(16) 0.579(2) 0.064(11) Uiso 1 1 d . . . H2C H -0.225(3) 0.5367(15) 0.623(2) 0.071(11) Uiso 1 1 d . . . H2O H -0.029(3) 0.4811(18) 0.638(3) 0.088(13) Uiso 1 1 d . . . S3 S 0.02224(6) 0.43778(3) 0.76972(5) 0.03439(16) Uani 1 1 d . . . O3 O -0.2234(2) 0.31279(10) 0.63221(17) 0.0517(6) Uani 1 1 d . . . Li3 Li -0.3501(4) 0.3548(2) 0.6841(4) 0.0486(13) Uani 1 1 d . . . H3OO H -0.158(3) 0.3195(14) 0.631(2) 0.046(10) Uiso 1 1 d . . . S4 S 0.05466(6) 0.32079(3) 0.58810(5) 0.03470(17) Uani 1 1 d . . . O4 O 0.5824(2) 0.42796(9) 0.01532(18) 0.0543(7) Uani 1 1 d . . . C4 C 0.6087(3) 0.36870(16) -0.0015(3) 0.0866(15) Uani 1 1 d . . . H4A H 0.6938 0.3604 0.0232 0.130 Uiso 1 1 calc R . . H4B H 0.5955 0.3615 -0.0669 0.130 Uiso 1 1 calc R . . H4C H 0.5546 0.3443 0.0279 0.130 Uiso 1 1 calc R . . Li4 Li 0.6721(5) 0.4767(2) 0.1060(4) 0.0535(14) Uani 1 1 d . . . H4O H 0.514(3) 0.4360(14) -0.005(2) 0.051(11) Uiso 1 1 d . . . O5 O -0.12457(19) 0.39661(9) 0.44758(17) 0.0507(6) Uani 1 1 d . . . C5 C -0.1437(5) 0.36619(19) 0.3607(3) 0.0789(14) Uani 1 1 d . . . H5A H -0.169(3) 0.3948(17) 0.310(3) 0.079(12) Uiso 1 1 d . . . H5B H -0.221(4) 0.336(2) 0.360(3) 0.113(15) Uiso 1 1 d . . . H5C H -0.065(4) 0.344(2) 0.354(3) 0.103(15) Uiso 1 1 d . . . H5O H -0.067(3) 0.3722(17) 0.487(3) 0.090(13) Uiso 1 1 d . . . O6 O 0.5491(2) 0.29599(12) 0.72735(19) 0.0542(7) Uani 1 1 d . . . C6 C 0.5852(3) 0.24882(16) 0.7835(3) 0.0656(11) Uani 1 1 d . . . H6A H 0.6594 0.2321 0.7662 0.098 Uiso 1 1 calc R . . H6B H 0.5198 0.2204 0.7766 0.098 Uiso 1 1 calc R . . H6C H 0.6014 0.2613 0.8469 0.098 Uiso 1 1 calc R . . H6O H 0.502(3) 0.3077(14) 0.739(2) 0.038(12) Uiso 1 1 d . . . O7 O 0.34166(18) 0.44214(10) -0.06261(16) 0.0439(5) Uani 1 1 d . . . C7 C 0.2633(3) 0.42302(16) 0.0031(2) 0.0573(9) Uani 1 1 d . . . H7A H 0.2871 0.4427 0.0609 0.086 Uiso 1 1 calc R . . H7B H 0.2728 0.3819 0.0123 0.086 Uiso 1 1 calc R . . H7C H 0.1779 0.4317 -0.0202 0.086 Uiso 1 1 calc R . . H7O H 0.330(2) 0.4182(13) -0.102(2) 0.029(8) Uiso 1 1 d . . . O8 O 0.1033(2) 0.22412(11) 0.7456(2) 0.0543(7) Uani 1 1 d . . . C8 C 0.1932(3) 0.18620(15) 0.7143(3) 0.0726(12) Uani 1 1 d . . . H8A H 0.2635 0.2085 0.7015 0.109 Uiso 1 1 calc R . . H8B H 0.1562 0.1667 0.6589 0.109 Uiso 1 1 calc R . . H8C H 0.2202 0.1580 0.7614 0.109 Uiso 1 1 calc R . . H8O H 0.088(3) 0.2415(14) 0.703(2) 0.036(10) Uiso 1 1 d . . . O9 O -0.2578(2) 0.40457(12) 0.7716(2) 0.0655(8) Uani 1 1 d . . . C9 C -0.3011(4) 0.45560(19) 0.8074(3) 0.0889(14) Uani 1 1 d . B . H9A H -0.2975 0.4867 0.7642 0.133 Uiso 1 1 calc R . . H9B H -0.2500 0.4649 0.8649 0.133 Uiso 1 1 calc R . . H9C H -0.3857 0.4502 0.8178 0.133 Uiso 1 1 calc R . . H9O H -0.198(4) 0.410(2) 0.759(3) 0.099(19) Uiso 1 1 d . . . O10 O 0.2358(2) 0.27827(12) 0.45259(19) 0.0632(8) Uani 1 1 d . . . H10O H 0.195(3) 0.2926(13) 0.477(2) 0.031(10) Uiso 1 1 d . . . O11 O 0.03615(19) 0.32036(10) 0.88733(17) 0.0535(6) Uani 1 1 d . . . C11 C -0.0809(4) 0.29734(18) 0.8935(4) 0.0676(13) Uani 1 1 d . . . H11A H -0.137(4) 0.3234(19) 0.919(3) 0.094(14) Uiso 1 1 d . . . H11B H -0.129(6) 0.286(3) 0.833(5) 0.18(3) Uiso 1 1 d . . . H11C H -0.067(3) 0.2631(18) 0.935(3) 0.081(12) Uiso 1 1 d . . . H11O H 0.021(3) 0.3536(15) 0.848(2) 0.058(10) Uiso 1 1 d . . . O12 O 0.5960(2) 0.47364(11) 0.21494(19) 0.0598(7) Uani 1 1 d . . . C12 C 0.5333(4) 0.42640(17) 0.2487(3) 0.0779(12) Uani 1 1 d . . . H12A H 0.5003 0.4016 0.1982 0.117 Uiso 1 1 calc R . . H12B H 0.4664 0.4406 0.2788 0.117 Uiso 1 1 calc R . . H12C H 0.5906 0.4048 0.2923 0.117 Uiso 1 1 calc R . . H12O H 0.623(3) 0.4900(16) 0.260(3) 0.061(13) Uiso 1 1 d . . . O13 O 0.1551(2) 0.54352(13) -0.1281(2) 0.0724(9) Uani 1 1 d . . . H13O H 0.124(3) 0.5210(14) -0.151(2) 0.035(10) Uiso 1 1 d . . . C1A C 0.5874(19) 0.4345(10) 0.535(2) 0.074(5) Uani 0.55(6) 1 d P A 1 H1AA H 0.6617 0.4173 0.5188 0.111 Uiso 0.55(6) 1 calc PR A 1 H1AB H 0.6070 0.4717 0.5634 0.111 Uiso 0.55(6) 1 calc PR A 1 H1AC H 0.5272 0.4393 0.4806 0.111 Uiso 0.55(6) 1 calc PR A 1 C1B C 0.556(3) 0.412(2) 0.500(3) 0.088(9) Uani 0.45(6) 1 d P A 2 H1BA H 0.4801 0.4047 0.4597 0.133 Uiso 0.45(6) 1 calc PR A 2 H1BB H 0.6216 0.3886 0.4831 0.133 Uiso 0.45(6) 1 calc PR A 2 H1BC H 0.5780 0.4526 0.4960 0.133 Uiso 0.45(6) 1 calc PR A 2 C3A C -0.2446(8) 0.2555(5) 0.5934(8) 0.054(3) Uiso 0.494(19) 1 d P B 3 H3AA H -0.3284 0.2437 0.5975 0.081 Uiso 0.494(19) 1 calc PR B 3 H3AB H -0.1873 0.2287 0.6272 0.081 Uiso 0.494(19) 1 calc PR B 3 H3AC H -0.2322 0.2560 0.5297 0.081 Uiso 0.494(19) 1 calc PR B 3 C3B C -0.2664(7) 0.2757(4) 0.5572(7) 0.045(3) Uiso 0.506(19) 1 d P B 4 H3BA H -0.2582 0.2950 0.5001 0.068 Uiso 0.506(19) 1 calc PR B 4 H3BB H -0.3524 0.2664 0.5583 0.068 Uiso 0.506(19) 1 calc PR B 4 H3BC H -0.2179 0.2407 0.5622 0.068 Uiso 0.506(19) 1 calc PR B 4 C10A C 0.3541(17) 0.2940(15) 0.489(2) 0.096(7) Uani 0.63(5) 1 d P C 5 H10A H 0.4110 0.2810 0.4485 0.145 Uiso 0.63(5) 1 calc PR C 5 H10B H 0.3759 0.2767 0.5486 0.145 Uiso 0.63(5) 1 calc PR C 5 H10C H 0.3588 0.3356 0.4942 0.145 Uiso 0.63(5) 1 calc PR C 5 C10B C 0.358(3) 0.2704(12) 0.5066(17) 0.050(5) Uani 0.37(5) 1 d P C 6 H10D H 0.4182 0.2631 0.4658 0.075 Uiso 0.37(5) 1 calc PR C 6 H10E H 0.3561 0.2379 0.5477 0.075 Uiso 0.37(5) 1 calc PR C 6 H10F H 0.3811 0.3048 0.5421 0.075 Uiso 0.37(5) 1 calc PR C 6 C13A C 0.064(2) 0.5612(13) -0.068(2) 0.080(7) Uani 0.46(5) 1 d P D 7 H13A H -0.0150 0.5692 -0.1051 0.119 Uiso 0.46(5) 1 calc PR D 7 H13B H 0.0928 0.5955 -0.0340 0.119 Uiso 0.46(5) 1 calc PR D 7 H13C H 0.0535 0.5304 -0.0252 0.119 Uiso 0.46(5) 1 calc PR D 7 C13B C 0.073(2) 0.5794(12) -0.099(2) 0.079(6) Uani 0.54(5) 1 d P D 8 H13D H 0.0920 0.6186 -0.1137 0.118 Uiso 0.54(5) 1 calc PR D 8 H13E H 0.0766 0.5756 -0.0330 0.118 Uiso 0.54(5) 1 calc PR D 8 H13F H -0.0094 0.5697 -0.1287 0.118 Uiso 0.54(5) 1 calc PR D 8 loop_ _atom_site_aniso_label _atom_site_aniso_U_11 _atom_site_aniso_U_22 _atom_site_aniso_U_33 _atom_site_aniso_U_23 _atom_site_aniso_U_13 _atom_site_aniso_U_12 Sn1 0.02598(9) 0.03128(9) 0.03158(11) 0.00126(10) 0.00535(7) 0.00129(8) S1 0.0286(3) 0.0374(4) 0.0402(5) 0.0074(3) 0.0056(3) 0.0001(3) O1 0.0378(13) 0.0576(16) 0.0639(17) 0.0112(12) 0.0187(12) 0.0094(12) Li1 0.035(2) 0.041(3) 0.044(3) 0.003(2) 0.006(2) 0.001(2) S2 0.0289(3) 0.0363(4) 0.0338(4) 0.0030(3) 0.0046(3) 0.0043(3) O2 0.0397(11) 0.0410(12) 0.0410(13) 0.0043(10) 0.0059(9) 0.0085(9) C2 0.058(2) 0.053(2) 0.047(2) -0.0059(18) 0.0110(18) 0.0214(17) Li2 0.043(3) 0.047(3) 0.058(4) -0.014(3) 0.013(3) -0.002(2) S3 0.0314(3) 0.0373(4) 0.0352(4) 0.0002(3) 0.0076(3) 0.0049(3) O3 0.0319(12) 0.0576(15) 0.0693(17) -0.0152(12) 0.0196(11) -0.0075(10) Li3 0.033(3) 0.062(3) 0.053(3) 0.004(3) 0.016(2) -0.003(2) S4 0.0299(3) 0.0375(4) 0.0369(4) -0.0043(3) 0.0055(3) -0.0013(3) O4 0.0439(13) 0.0448(13) 0.0692(18) -0.0172(12) -0.0089(12) 0.0087(11) C4 0.066(2) 0.051(2) 0.130(4) -0.026(2) -0.028(2) 0.0157(18) Li4 0.042(3) 0.048(3) 0.068(4) -0.010(3) -0.003(3) 0.005(2) O5 0.0498(12) 0.0384(12) 0.0604(16) 0.0052(11) -0.0031(11) -0.0007(10) C5 0.100(4) 0.050(2) 0.072(3) -0.007(2) -0.033(3) 0.001(2) O6 0.0369(13) 0.0598(16) 0.0704(19) 0.0135(13) 0.0232(13) 0.0141(12) C6 0.0481(19) 0.058(2) 0.094(3) 0.014(2) 0.020(2) 0.0126(16) O7 0.0422(12) 0.0441(13) 0.0447(15) -0.0109(11) 0.0040(10) 0.0019(10) C7 0.058(2) 0.068(2) 0.048(2) -0.0123(18) 0.0177(17) -0.0035(17) O8 0.0546(14) 0.0468(14) 0.0618(19) 0.0136(14) 0.0097(13) -0.0040(11) C8 0.077(3) 0.045(2) 0.098(4) -0.002(2) 0.021(2) 0.0041(18) O9 0.0376(14) 0.0765(19) 0.083(2) -0.0303(14) 0.0104(13) 0.0031(12) C9 0.069(3) 0.091(3) 0.112(4) -0.034(3) 0.032(3) 0.012(2) O10 0.0399(14) 0.0835(19) 0.0692(19) -0.0412(16) 0.0184(13) -0.0058(13) O11 0.0438(12) 0.0529(14) 0.0691(17) 0.0221(13) 0.0255(11) 0.0079(10) C11 0.044(2) 0.053(2) 0.112(4) 0.021(3) 0.034(2) 0.0062(18) O12 0.0671(16) 0.0547(15) 0.0540(18) -0.0057(14) -0.0032(13) -0.0133(12) C12 0.092(3) 0.061(3) 0.073(3) 0.014(2) -0.014(2) -0.022(2) O13 0.0455(14) 0.0538(17) 0.110(3) -0.0355(16) -0.0133(15) 0.0064(13) C1A 0.051(6) 0.078(10) 0.101(14) 0.039(8) 0.035(8) 0.017(6) C1B 0.077(12) 0.095(19) 0.107(18) 0.048(13) 0.060(11) 0.036(11) C10A 0.046(5) 0.124(15) 0.124(14) -0.065(12) 0.025(7) -0.004(9) C10B 0.033(6) 0.069(11) 0.045(9) -0.016(8) -0.002(6) -0.007(8) C13A 0.053(6) 0.070(12) 0.126(18) -0.040(10) 0.043(9) 0.007(8) C13B 0.053(7) 0.076(10) 0.103(15) -0.038(9) 0.001(7) -0.004(7) loop_ _atom_type_symbol _atom_type_description _atom_type_scat_dispersion_real _atom_type_scat_dispersion_imag _atom_type_scat_source C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Li Li -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' S S 0.1246 0.1234 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' Sn Sn -0.6537 1.4246 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4' 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_3 S1 Sn1 S2 109.68(3) . . S1 Sn1 S4 113.20(3) . . S2 Sn1 S4 110.84(3) . . S1 Sn1 S3 109.04(3) . . S2 Sn1 S3 107.77(3) . . S4 Sn1 S3 106.10(3) . . Sn1 S1 Li1 102.63(12) . 3_566 C1A O1 C1B 30.7(11) . . C1A O1 Li3 119.2(9) . 1_655 C1B O1 Li3 126.2(9) . 1_655 O5 Li1 O2 112.1(3) . . O5 Li1 O2 102.5(2) . 3_566 O2 Li1 O2 94.9(2) . 3_566 O5 Li1 S1 121.6(2) . 3_566 O2 Li1 S1 108.6(2) . 3_566 O2 Li1 S1 114.0(2) 3_566 3_566 O5 Li1 Li1 115.9(3) . 3_566 O2 Li1 Li1 48.45(17) . 3_566 O2 Li1 Li1 46.43(15) 3_566 3_566 S1 Li1 Li1 122.4(3) 3_566 3_566 Sn1 S2 Li2 97.36(12) . 4_566 C2 O2 Li1 116.9(2) . . C2 O2 Li1 120.1(2) . 3_566 Li1 O2 Li1 85.1(2) . 3_566 O10 Li2 O11 112.7(3) . 4_565 O10 Li2 O8 108.4(3) . 4_565 O11 Li2 O8 108.9(3) 4_565 4_565 O10 Li2 S2 115.8(2) . 4_565 O11 Li2 S2 104.6(2) 4_565 4_565 O8 Li2 S2 106.1(2) 4_565 4_565 C3B O3 C3A 29.1(4) . . C3B O3 Li3 115.8(4) . . C3A O3 Li3 122.2(4) . . O9 Li3 O6 118.6(3) . 1_455 O9 Li3 O1 110.4(3) . 1_455 O6 Li3 O1 105.3(2) 1_455 1_455 O9 Li3 O3 103.5(2) . . O6 Li3 O3 104.5(3) 1_455 . O1 Li3 O3 114.8(3) 1_455 . C4 O4 Li4 126.5(3) . . O4 Li4 O12 108.8(3) . . O4 Li4 O13 111.3(3) . 3_665 O12 Li4 O13 112.7(3) . 3_665 O4 Li4 O7 109.3(3) . 3_665 O12 Li4 O7 106.5(3) . 3_665 O13 Li4 O7 108.1(3) 3_665 3_665 C5 O5 Li1 123.3(3) . . C6 O6 Li3 129.0(3) . 1_655 C7 O7 Li4 118.6(3) . 3_665 C8 O8 Li2 114.5(3) . 4_566 C9 O9 Li3 126.1(3) . . C10A O10 C10B 24.5(15) . . C10A O10 Li2 133.4(8) . . C10B O10 Li2 123.3(12) . . C11 O11 Li2 121.2(3) . 4_566 C12 O12 Li4 127.9(3) . . C13B O13 C13A 25.5(13) . . C13B O13 Li4 141.6(9) . 3_665 C13A O13 Li4 134.0(13) . 3_665 loop_ _geom_bond_atom_site_label_1 _geom_bond_atom_site_label_2 _geom_bond_distance _geom_bond_site_symmetry_2 Sn1 S1 2.3736(8) . Sn1 S2 2.3797(9) . Sn1 S4 2.3909(9) . Sn1 S3 2.4061(9) . S1 Li1 2.403(5) 3_566 O1 C1A 1.375(18) . O1 C1B 1.48(3) . O1 Li3 1.914(6) 1_655 Li1 O5 1.903(5) . Li1 O2 1.994(6) . Li1 O2 2.060(5) 3_566 Li1 S1 2.403(5) 3_566 Li1 Li1 2.742(9) 3_566 S2 Li2 2.432(5) 4_566 O2 C2 1.458(4) . O2 Li1 2.060(5) 3_566 Li2 O10 1.896(6) . Li2 O11 1.931(6) 4_565 Li2 O8 1.990(6) 4_565 Li2 S2 2.432(5) 4_565 O3 C3B 1.413(7) . O3 C3A 1.441(8) . O3 Li3 1.925(6) . Li3 O9 1.890(6) . Li3 O6 1.906(6) 1_455 Li3 O1 1.914(6) 1_455 O4 C4 1.423(4) . O4 Li4 1.893(6) . Li4 O12 1.899(7) . Li4 O13 1.913(5) 3_665 Li4 O7 1.971(6) 3_665 O5 C5 1.438(5) . O6 C6 1.383(4) . O6 Li3 1.906(6) 1_655 O7 C7 1.442(4) . O7 Li4 1.972(6) 3_665 O8 C8 1.433(4) . O8 Li2 1.990(6) 4_566 O9 C9 1.396(4) . O10 C10A 1.363(17) . O10 C10B 1.45(2) . O11 C11 1.391(4) . O11 Li2 1.931(6) 4_566 O12 C12 1.410(4) . O13 C13B 1.33(2) . O13 C13A 1.48(2) . O13 Li4 1.913(5) 3_665 _journal_paper_doi 10.1021/cm3011315