#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/51/7215191.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_7215191
loop_
_publ_author_name
'Kuhn, Alexander'
'Köhler, Jürgen'
'Lotsch, Bettina V.'
_publ_section_title
;
 Single-crystal X-ray structure analysis of the superionic conductor
 Li10GeP2S12.
;
_journal_issue                   28
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              11620
_journal_page_last               11622
_journal_paper_doi               10.1039/c3cp51985f
_journal_volume                  15
_journal_year                    2013
_chemical_formula_moiety         'Li10 Ge P2 S12'
_chemical_formula_sum            'Ge Li10 P2 S12'
_chemical_formula_weight         588.66
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           137
_symmetry_cell_setting           tetragonal
_symmetry_Int_Tables_number      137
_symmetry_space_group_name_Hall  'P 4n 2n -1n'
_symmetry_space_group_name_H-M   'P 42/n m 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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   8.719(3)
_cell_length_b                   8.719(3)
_cell_length_c                   12.639(4)
_cell_measurement_reflns_used    3254
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      30.34
_cell_measurement_theta_min      2.838
_cell_volume                     960.8(6)
_computing_cell_refinement       'SAINT32 (Bruker AXS)'
_computing_data_collection       'SMART32 (Bruker AXS)'
_computing_data_reduction        'SMART32 (Bruker AXS)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'SMART APEX II, Bruker AXS'
_diffrn_measurement_method       \wscan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0650
_diffrn_reflns_av_sigmaI/netI    0.0288
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            10834
_diffrn_reflns_theta_full        30.59
_diffrn_reflns_theta_max         30.59
_diffrn_reflns_theta_min         2.84
_exptl_absorpt_coefficient_mu    3.036
_exptl_absorpt_correction_T_max  0.6214
_exptl_absorpt_correction_T_min  0.2560
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'translucent yellowish'
_exptl_crystal_density_diffrn    2.035
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             548
_exptl_crystal_size_max          200
_exptl_crystal_size_mid          150
_exptl_crystal_size_min          100
_refine_diff_density_max         1.766
_refine_diff_density_min         -0.744
_refine_diff_density_rms         0.130
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   -10(10)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.171
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_reflns         829
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.170
_refine_ls_R_factor_all          0.0616
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0672P)²+0.7691P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1118
_refine_ls_wR_factor_ref         0.1299
_reflns_number_gt                628
_reflns_number_total             829
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cp51985f_2.cif
_cod_data_source_block           rt_20li
_cod_original_cell_volume        960.7(5)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_original_formula_sum        'Li10 Ge P2 S12'
_cod_database_code               7215191
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z'
'-y+1/2, x+1/2, z+1/2'
'y+1/2, -x+1/2, z+1/2'
'-x+1/2, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1/2'
'y, x, -z'
'-y, -x, -z'
'-x+1/2, -y+1/2, -z+1/2'
'x+1/2, y+1/2, -z+1/2'
'y, -x, -z'
'-y, x, -z'
'x, -y, z'
'-x, y, z'
'-y+1/2, -x+1/2, z+1/2'
'y+1/2, x+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
Li1 Li+ 0.267(3) 0.273(3) 0.194(2) 0.114(11) Uani 0.466(18) 1 d P
Li2 Li+ 0.0000 0.5000 0.9454(12) 0.056(6) Uani 0.86(6) 4 d SP
Li3 Li+ 0.248(2) 0.248(2) 0.0000 0.18(2) Uani 0.74(5) 2 d SP
Li4 Li+ 0.0000 0.0000 0.251(2) 0.108(14) Uani 0.81(7) 4 d SP
Ge1 Ge 0.0000 0.5000 0.69154(7) 0.0286(3) Uani 0.50 4 d SP
P1 P 0.0000 0.5000 0.69154(7) 0.0286(3) Uani 0.50 4 d SP
P2 P 0.0000 0.0000 0.5000 0.0272(4) Uani 1 8 d S
S1 S 0.0000 0.18857(13) 0.40707(10) 0.0466(4) Uani 1 2 d S
S2 S 0.0000 0.29557(14) 0.09727(9) 0.0399(3) Uani 1 2 d S
S3 S 0.0000 0.69901(13) 0.79168(9) 0.0373(3) Uani 1 2 d S
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Li Li+ -0.0003 0.0001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ge Ge 0.1547 1.8001 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 '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'
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
Li1 Li1 S3 72.1(16) 9 8_656
Li1 Li1 S3 71.5(16) 9 4_454
S3 Li1 S3 143.5(13) 8_656 4_454
Li1 Li1 S1 135(3) 9 6
S3 Li1 S1 94.3(7) 8_656 6
S3 Li1 S1 111.3(10) 4_454 6
Li1 Li1 Li3 154(3) 9 .
S3 Li1 Li3 89.8(9) 8_656 .
S3 Li1 Li3 124.5(11) 4_454 .
S1 Li1 Li3 63.1(8) 6 .
Li1 Li1 S2 106(2) 9 .
S3 Li1 S2 102.6(10) 8_656 .
S3 Li1 S2 87.5(7) 4_454 .
S1 Li1 S2 119.1(12) 6 .
Li3 Li1 S2 59.1(8) . .
Li1 Li1 Li4 95(3) 9 5
S3 Li1 Li4 124.6(11) 8_656 5
S3 Li1 Li4 59.4(6) 4_454 5
S1 Li1 Li4 56.6(7) 6 5
Li3 Li1 Li4 110.3(11) . 5
S2 Li1 Li4 132.3(9) . 5
Li1 Li1 Ge1 91.5(16) 9 3_554
S3 Li1 Ge1 137.3(11) 8_656 3_554
S3 Li1 Ge1 44.3(4) 4_454 3_554
S1 Li1 Ge1 122.9(9) 6 3_554
Li3 Li1 Ge1 89.7(9) . 3_554
S2 Li1 Ge1 43.4(4) . 3_554
Li4 Li1 Ge1 95.3(6) 5 3_554
Li1 Li1 P1 91.5(16) 9 3_554
S3 Li1 P1 137.3(11) 8_656 3_554
S3 Li1 P1 44.3(4) 4_454 3_554
S1 Li1 P1 122.9(9) 6 3_554
Li3 Li1 P1 89.7(9) . 3_554
S2 Li1 P1 43.4(4) . 3_554
Li4 Li1 P1 95.3(6) 5 3_554
Ge1 Li1 P1 0.00(3) 3_554 3_554
Li1 Li1 Li4 59(2) 9 .
S3 Li1 Li4 51.4(5) 8_656 .
S3 Li1 Li4 107.2(8) 4_454 .
S1 Li1 Li4 141.5(9) 6 .
Li3 Li1 Li4 95.8(12) . .
S2 Li1 Li4 63.0(6) . .
Li4 Li1 Li4 153.9(11) 5 .
Ge1 Li1 Li4 86.2(6) 3_554 .
P1 Li1 Li4 86.2(6) 3_554 .
S3 Li2 S3 83.5(5) 2_565 .
S3 Li2 S2 178.9(5) 2_565 2_566
S3 Li2 S2 95.35(4) . 2_566
S3 Li2 S2 95.35(4) 2_565 1_556
S3 Li2 S2 178.9(5) . 1_556
S2 Li2 S2 85.8(5) 2_566 1_556
S3 Li2 S1 82.5(3) 2_565 4_455
S3 Li2 S1 82.5(3) . 4_455
S2 Li2 S1 97.4(2) 2_566 4_455
S2 Li2 S1 97.4(2) 1_556 4_455
S3 Li2 S1 82.5(3) 2_565 3
S3 Li2 S1 82.5(3) . 3
S2 Li2 S1 97.4(2) 2_566 3
S2 Li2 S1 97.4(2) 1_556 3
S1 Li2 S1 159.7(6) 4_455 3
S3 Li2 P1 138.2(2) 2_565 3
S3 Li2 P1 138.2(2) . 3
S2 Li2 P1 42.9(2) 2_566 3
S2 Li2 P1 42.9(2) 1_556 3
S1 Li2 P1 100.1(3) 4_455 3
S1 Li2 P1 100.1(3) 3 3
S3 Li2 Ge1 138.2(2) 2_565 3
S3 Li2 Ge1 138.2(2) . 3
S2 Li2 Ge1 42.9(2) 2_566 3
S2 Li2 Ge1 42.9(2) 1_556 3
S1 Li2 Ge1 100.1(3) 4_455 3
S1 Li2 Ge1 100.1(3) 3 3
P1 Li2 Ge1 0.0 3 3
S3 Li2 Li3 128.8(4) 2_565 11_566
S3 Li2 Li3 72.5(2) . 11_566
S2 Li2 Li3 50.7(3) 2_566 11_566
S2 Li2 Li3 108.3(5) 1_556 11_566
S1 Li2 Li3 135.3(5) 4_455 11_566
S1 Li2 Li3 50.6(4) 3 11_566
P1 Li2 Li3 77.4(3) 3 11_566
Ge1 Li2 Li3 77.4(3) 3 11_566
S3 Li2 Li3 72.5(2) 2_565 12_556
S3 Li2 Li3 128.8(4) . 12_556
S2 Li2 Li3 108.3(5) 2_566 12_556
S2 Li2 Li3 50.7(3) 1_556 12_556
S1 Li2 Li3 50.6(4) 4_455 12_556
S1 Li2 Li3 135.3(5) 3 12_556
P1 Li2 Li3 77.4(3) 3 12_556
Ge1 Li2 Li3 77.4(3) 3 12_556
Li3 Li2 Li3 154.8(5) 11_566 12_556
S3 Li2 Li3 72.5(2) 2_565 1_556
S3 Li2 Li3 128.8(4) . 1_556
S2 Li2 Li3 108.3(5) 2_566 1_556
S2 Li2 Li3 50.7(3) 1_556 1_556
S1 Li2 Li3 135.3(5) 4_455 1_556
S1 Li2 Li3 50.6(4) 3 1_556
P1 Li2 Li3 77.4(3) 3 1_556
Ge1 Li2 Li3 77.4(3) 3 1_556
Li3 Li2 Li3 88.3(9) 11_566 1_556
Li3 Li2 Li3 86.2(9) 12_556 1_556
S3 Li2 Li3 128.8(4) 2_565 2_566
S3 Li2 Li3 72.5(2) . 2_566
S2 Li2 Li3 50.7(3) 2_566 2_566
S2 Li2 Li3 108.3(5) 1_556 2_566
S1 Li2 Li3 50.6(4) 4_455 2_566
S1 Li2 Li3 135.3(5) 3 2_566
P1 Li2 Li3 77.4(3) 3 2_566
Ge1 Li2 Li3 77.4(3) 3 2_566
Li3 Li2 Li3 86.2(9) 11_566 2_566
Li3 Li2 Li3 88.3(9) 12_556 2_566
Li3 Li2 Li3 154.8(5) 1_556 2_566
Li1 Li3 Li1 167.1(16) . 7
Li1 Li3 S2 123.3(6) . 7
Li1 Li3 S2 63.9(6) 7 7
Li1 Li3 S2 63.9(6) . .
Li1 Li3 S2 123.3(6) 7 .
S2 Li3 S2 121.5(10) 7 .
Li1 Li3 S1 57.6(7) . 6
Li1 Li3 S1 111.4(9) 7 6
S2 Li3 S1 105.5(2) 7 6
S2 Li3 S1 118.5(3) . 6
Li1 Li3 S1 111.4(9) . 3_554
Li1 Li3 S1 57.6(7) 7 3_554
S2 Li3 S1 118.5(3) 7 3_554
S2 Li3 S1 105.5(2) . 3_554
S1 Li3 S1 80.6(7) 6 3_554
Li1 Li3 P2 83.6(8) . 3_554
Li1 Li3 P2 83.6(8) 7 3_554
S2 Li3 P2 119.2(5) 7 3_554
S2 Li3 P2 119.2(5) . 3_554
S1 Li3 P2 40.3(4) 6 3_554
S1 Li3 P2 40.3(4) 3_554 3_554
Li1 Li3 Li2 101.7(6) . 1_554
Li1 Li3 Li2 78.2(6) 7 1_554
S2 Li3 Li2 127.1(5) 7 1_554
S2 Li3 Li2 53.5(2) . 1_554
S1 Li3 Li2 122.5(7) 6 1_554
S1 Li3 Li2 56.54(18) 3_554 1_554
P2 Li3 Li2 89.5(4) 3_554 1_554
Li1 Li3 Li2 78.2(6) . 7_556
Li1 Li3 Li2 101.7(6) 7 7_556
S2 Li3 Li2 53.5(2) 7 7_556
S2 Li3 Li2 127.1(5) . 7_556
S1 Li3 Li2 56.54(18) 6 7_556
S1 Li3 Li2 122.5(7) 3_554 7_556
P2 Li3 Li2 89.5(4) 3_554 7_556
Li2 Li3 Li2 178.9(9) 1_554 7_556
S1 Li4 S1 79.5(8) . 2
S1 Li4 S3 98.8(4) . 7_456
S1 Li4 S3 98.8(4) 2 7_456
S1 Li4 S3 98.8(4) . 8_656
S1 Li4 S3 98.8(4) 2 8_656
S3 Li4 S3 156.9(11) 7_456 8_656
S1 Li4 Li1 51.8(5) . 9
S1 Li4 Li1 104.4(9) 2 9
S3 Li4 Li1 136.8(4) 7_456 9
S3 Li4 Li1 50.8(4) 8_656 9
S1 Li4 Li1 104.4(9) . 10_445
S1 Li4 Li1 51.8(5) 2 10_445
S3 Li4 Li1 50.8(4) 7_456 10_445
S3 Li4 Li1 136.8(4) 8_656 10_445
Li1 Li4 Li1 152.2(15) 9 10_445
S1 Li4 Li1 104.4(9) . 5_545
S1 Li4 Li1 51.8(5) 2 5_545
S3 Li4 Li1 136.8(4) 7_456 5_545
S3 Li4 Li1 50.8(4) 8_656 5_545
Li1 Li4 Li1 85.4(10) 9 5_545
Li1 Li4 Li1 88.0(8) 10_445 5_545
S1 Li4 Li1 51.8(5) . 6_455
S1 Li4 Li1 104.4(9) 2 6_455
S3 Li4 Li1 50.8(4) 7_456 6_455
S3 Li4 Li1 136.8(4) 8_656 6_455
Li1 Li4 Li1 88.0(8) 9 6_455
Li1 Li4 Li1 85.4(10) 10_445 6_455
Li1 Li4 Li1 152.2(15) 5_545 6_455
S1 Li4 Li1 127.5(8) . 2
S1 Li4 Li1 73.5(5) 2 2
S3 Li4 Li1 44.6(4) 7_456 2
S3 Li4 Li1 128.9(6) 8_656 2
Li1 Li4 Li1 177.9(9) 9 2
Li1 Li4 Li1 26.1(11) 10_445 2
Li1 Li4 Li1 93.0(3) 5_545 2
Li1 Li4 Li1 92.8(2) 6_455 2
S1 Li4 Li1 73.5(5) . .
S1 Li4 Li1 127.5(8) 2 .
S3 Li4 Li1 128.9(6) 7_456 .
S3 Li4 Li1 44.6(4) 8_656 .
Li1 Li4 Li1 26.1(11) 9 .
Li1 Li4 Li1 177.9(9) 10_445 .
Li1 Li4 Li1 92.8(2) 5_545 .
Li1 Li4 Li1 93.0(3) 6_455 .
Li1 Li4 Li1 155.6(14) 2 .
S1 Li4 Li1 127.5(8) . 13
S1 Li4 Li1 73.5(5) 2 13
S3 Li4 Li1 128.9(6) 7_456 13
S3 Li4 Li1 44.6(4) 8_656 13
Li1 Li4 Li1 92.8(2) 9 13
Li1 Li4 Li1 93.0(3) 10_445 13
Li1 Li4 Li1 26.1(11) 5_545 13
Li1 Li4 Li1 177.9(9) 6_455 13
Li1 Li4 Li1 86.3(8) 2 13
Li1 Li4 Li1 88.5(7) . 13
S1 Li4 Li1 73.5(5) . 14
S1 Li4 Li1 127.5(8) 2 14
S3 Li4 Li1 44.6(4) 7_456 14
S3 Li4 Li1 128.9(6) 8_656 14
Li1 Li4 Li1 93.0(3) 9 14
Li1 Li4 Li1 92.8(2) 10_445 14
Li1 Li4 Li1 177.9(9) 5_545 14
Li1 Li4 Li1 26.1(11) 6_455 14
Li1 Li4 Li1 88.5(7) 2 14
Li1 Li4 Li1 86.3(8) . 14
Li1 Li4 Li1 155.6(14) 13 14
S2 Ge1 S2 112.48(8) 4_455 3
S2 Ge1 S3 109.12(3) 4_455 .
S2 Ge1 S3 109.12(3) 3 .
S2 Ge1 S3 109.12(3) 4_455 2_565
S2 Ge1 S3 109.12(3) 3 2_565
S3 Ge1 S3 107.79(7) . 2_565
S2 Ge1 Li1 57.8(6) 4_455 4_455
S2 Ge1 Li1 122.9(5) 3 4_455
S3 Ge1 Li1 127.6(5) . 4_455
S3 Ge1 Li1 51.6(6) 2_565 4_455
S2 Ge1 Li1 122.9(5) 4_455 3
S2 Ge1 Li1 57.8(6) 3 3
S3 Ge1 Li1 51.6(6) . 3
S3 Ge1 Li1 127.6(5) 2_565 3
Li1 Ge1 Li1 178.9(11) 4_455 3
S2 Ge1 Li1 122.9(5) 4_455 15
S2 Ge1 Li1 57.8(6) 3 15
S3 Ge1 Li1 127.6(5) . 15
S3 Ge1 Li1 51.6(6) 2_565 15
Li1 Ge1 Li1 80.7(10) 4_455 15
Li1 Ge1 Li1 99.2(10) 3 15
S2 Ge1 Li1 57.8(6) 4_455 16_455
S2 Ge1 Li1 122.9(5) 3 16_455
S3 Ge1 Li1 51.6(6) . 16_455
S3 Ge1 Li1 127.6(5) 2_565 16_455
Li1 Ge1 Li1 99.2(10) 4_455 16_455
Li1 Ge1 Li1 80.7(10) 3 16_455
Li1 Ge1 Li1 178.9(11) 15 16_455
S2 Ge1 Li2 56.24(4) 4_455 3_554
S2 Ge1 Li2 56.24(4) 3 3_554
S3 Ge1 Li2 126.11(4) . 3_554
S3 Ge1 Li2 126.11(4) 2_565 3_554
Li1 Ge1 Li2 90.5(6) 4_455 3_554
Li1 Ge1 Li2 90.5(6) 3 3_554
Li1 Ge1 Li2 90.5(6) 15 3_554
Li1 Ge1 Li2 90.5(6) 16_455 3_554
S2 Ge1 Li2 123.76(4) 4_455 .
S2 Ge1 Li2 123.76(4) 3 .
S3 Ge1 Li2 53.89(4) . .
S3 Ge1 Li2 53.89(4) 2_565 .
Li1 Ge1 Li2 89.5(6) 4_455 .
Li1 Ge1 Li2 89.5(6) 3 .
Li1 Ge1 Li2 89.5(6) 15 .
Li1 Ge1 Li2 89.5(6) 16_455 .
Li2 Ge1 Li2 180.000(3) 3_554 .
S1 P2 S1 109.75(4) 7_556 2
S1 P2 S1 108.91(7) 7_556 8_556
S1 P2 S1 109.75(4) 2 8_556
S1 P2 S1 109.75(4) 7_556 .
S1 P2 S1 108.91(7) 2 .
S1 P2 S1 109.75(4) 8_556 .
S1 P2 Li3 125.125(19) 7_556 10_445
S1 P2 Li3 54.875(19) 2 10_445
S1 P2 Li3 54.875(19) 8_556 10_445
S1 P2 Li3 125.125(19) . 10_445
S1 P2 Li3 54.875(19) 7_556 9
S1 P2 Li3 125.125(19) 2 9
S1 P2 Li3 125.125(19) 8_556 9
S1 P2 Li3 54.875(19) . 9
Li3 P2 Li3 180.0(5) 10_445 9
S1 P2 Li3 125.125(19) 7_556 4_455
S1 P2 Li3 125.125(19) 2 4_455
S1 P2 Li3 54.875(19) 8_556 4_455
S1 P2 Li3 54.875(19) . 4_455
Li3 P2 Li3 90.0 10_445 4_455
Li3 P2 Li3 90.0 9 4_455
S1 P2 Li3 54.875(19) 7_556 3_545
S1 P2 Li3 54.875(19) 2 3_545
S1 P2 Li3 125.125(19) 8_556 3_545
S1 P2 Li3 125.125(19) . 3_545
Li3 P2 Li3 90.0 10_445 3_545
Li3 P2 Li3 90.0 9 3_545
Li3 P2 Li3 180.0 4_455 3_545
P2 S1 Li1 114.8(6) . 6_455
P2 S1 Li1 114.8(6) . 9
Li1 S1 Li1 114.0(15) 6_455 9
P2 S1 Li3 84.8(4) . 9
Li1 S1 Li3 159.0(6) 6_455 9
Li1 S1 Li3 59.3(8) 9 9
P2 S1 Li3 84.8(4) . 4_455
Li1 S1 Li3 59.3(8) 6_455 4_455
Li1 S1 Li3 159.0(6) 9 4_455
Li3 S1 Li3 118.86(12) 9 4_455
P2 S1 Li4 85.8(4) . .
Li1 S1 Li4 71.6(7) 6_455 .
Li1 S1 Li4 71.6(7) 9 .
Li3 S1 Li4 119.51(8) 9 .
Li3 S1 Li4 119.51(8) 4_455 .
P2 S1 Li2 134.3(3) . 3_554
Li1 S1 Li2 87.4(6) 6_455 3_554
Li1 S1 Li2 87.4(6) 9 3_554
Li3 S1 Li2 72.8(3) 9 3_554
Li3 S1 Li2 72.8(3) 4_455 3_554
Li4 S1 Li2 139.9(5) . 3_554
P1 S2 Ge1 0.00(4) 3_554 3_554
P1 S2 Li3 114.2(5) 3_554 12
Ge1 S2 Li3 114.2(5) 3_554 12
P1 S2 Li3 114.2(5) 3_554 .
Ge1 S2 Li3 114.2(5) 3_554 .
Li3 S2 Li3 117.9(6) 12 .
P1 S2 Li2 80.9(2) 3_554 1_554
Ge1 S2 Li2 80.9(2) 3_554 1_554
Li3 S2 Li2 75.8(2) 12 1_554
Li3 S2 Li2 75.8(2) . 1_554
P1 S2 Li1 78.8(5) 3_554 .
Ge1 S2 Li1 78.8(5) 3_554 .
Li3 S2 Li1 166.0(7) 12 .
Li3 S2 Li1 57.0(6) . .
Li2 S2 Li1 113.0(6) 1_554 .
P1 S2 Li1 78.8(5) 3_554 14
Ge1 S2 Li1 78.8(5) 3_554 14
Li3 S2 Li1 57.0(6) 12 14
Li3 S2 Li1 166.0(7) . 14
Li2 S2 Li1 113.0(6) 1_554 14
Li1 S2 Li1 124.1(11) . 14
Ge1 S3 Li1 98.3(8) . 11_566
Ge1 S3 Li1 98.3(8) . 8_566
Li1 S3 Li1 163.4(15) 11_566 8_566
Ge1 S3 Li1 84.1(8) . 16_455
Li1 S3 Li1 145.3(3) 11_566 16_455
Li1 S3 Li1 36.5(13) 8_566 16_455
Ge1 S3 Li1 84.1(8) . 3
Li1 S3 Li1 36.5(13) 11_566 3
Li1 S3 Li1 145.3(3) 8_566 3
Li1 S3 Li1 110.6(12) 16_455 3
Ge1 S3 Li2 84.3(2) . .
Li1 S3 Li2 91.4(6) 11_566 .
Li1 S3 Li2 91.4(6) 8_566 .
Li1 S3 Li2 123.2(6) 16_455 .
Li1 S3 Li2 123.2(6) 3 .
Ge1 S3 Li4 132.4(5) . 7_566
Li1 S3 Li4 84.0(6) 11_566 7_566
Li1 S3 Li4 84.0(6) 8_566 7_566
Li1 S3 Li4 69.8(7) 16_455 7_566
Li1 S3 Li4 69.8(7) 3 7_566
Li2 S3 Li4 143.3(6) . 7_566
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Li1 Li1 1.51(6) 9
Li1 S3 2.40(2) 8_656
Li1 S3 2.41(2) 4_454
Li1 S1 2.42(2) 6
Li1 Li3 2.46(3) .
Li1 S2 2.64(3) .
Li1 Li4 2.92(3) 5
Li1 Ge1 3.06(2) 3_554
Li1 P1 3.06(2) 3_554
Li1 Li4 3.41(3) .
Li2 S3 2.605(11) 2_565
Li2 S3 2.605(11) .
Li2 S2 2.619(11) 2_566
Li2 S2 2.619(11) 1_556
Li2 S1 2.758(3) 4_455
Li2 S1 2.758(3) 3
Li2 P1 3.110(15) 3
Li2 Ge1 3.110(15) 3
Li2 Li3 3.159(3) 11_566
Li2 Li3 3.159(3) 12_556
Li2 Li3 3.159(3) 1_556
Li2 Li3 3.159(3) 2_566
Li3 Li1 2.46(3) 7
Li3 S2 2.519(12) 7
Li3 S2 2.519(12) .
Li3 S1 2.556(19) 6
Li3 S1 2.556(19) 3_554
Li3 P2 3.11(2) 3_554
Li3 Li2 3.159(3) 1_554
Li3 Li2 3.159(3) 7_556
Li4 S1 2.57(2) .
Li4 S1 2.57(2) 2
Li4 S3 2.678(5) 7_456
Li4 S3 2.678(5) 8_656
Li4 Li1 2.92(3) 9
Li4 Li1 2.92(3) 10_445
Li4 Li1 2.92(3) 5_545
Li4 Li1 2.92(3) 6_455
Li4 Li1 3.41(3) 2
Li4 Li1 3.41(3) 13
Li4 Li1 3.41(3) 14
Ge1 S2 2.1439(14) 4_455
Ge1 S2 2.1439(14) 3
Ge1 S3 2.1476(13) .
Ge1 S3 2.1476(13) 2_565
Ge1 Li1 3.06(2) 4_455
Ge1 Li1 3.06(2) 3
Ge1 Li1 3.06(2) 15
Ge1 Li1 3.06(2) 16_455
Ge1 Li2 3.110(15) 3_554
P2 S1 2.0205(12) 7_556
P2 S1 2.0205(12) 2
P2 S1 2.0205(12) 8_556
P2 S1 2.0205(12) .
P2 Li3 3.11(2) 10_445
P2 Li3 3.11(2) 9
P2 Li3 3.11(2) 4_455
P2 Li3 3.11(2) 3_545
S1 Li1 2.42(2) 6_455
S1 Li1 2.42(2) 9
S1 Li3 2.556(19) 9
S1 Li3 2.556(19) 4_455
S1 Li2 2.758(3) 3_554
S2 P1 2.1439(13) 3_554
S2 Ge1 2.1439(13) 3_554
S2 Li3 2.519(12) 12
S2 Li2 2.619(11) 1_554
S2 Li1 2.64(3) 14
S3 Li1 2.40(2) 11_566
S3 Li1 2.40(2) 8_566
S3 Li1 2.41(2) 16_455
S3 Li1 2.41(2) 3
S3 Li4 2.678(5) 7_566
