#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/21/51/7215190.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_7215190
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                   8.652(3)
_cell_length_b                   8.652(3)
_cell_length_c                   12.582(4)
_cell_measurement_temperature    273(2)
_cell_volume                     941.9(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'SMART APEX II, Bruker AXS'
_diffrn_measurement_method       \wscan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0468
_diffrn_reflns_av_sigmaI/netI    0.0202
_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            10274
_diffrn_reflns_theta_full        30.65
_diffrn_reflns_theta_max         30.65
_diffrn_reflns_theta_min         2.86
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    3.097
_exptl_absorpt_correction_T_max  0.6214
_exptl_absorpt_correction_T_min  0.3940
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            'translucent yellowish'
_exptl_crystal_density_diffrn    2.076
_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         1.170
_refine_diff_density_min         -0.532
_refine_diff_density_rms         0.118
_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   1.154
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     51
_refine_ls_number_reflns         820
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.154
_refine_ls_R_factor_all          0.0514
_refine_ls_R_factor_gt           0.0355
_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/[σ²(Fo²)+(0.0539P)²+1.0798P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0880
_refine_ls_wR_factor_ref         0.1056
_reflns_number_gt                647
_reflns_number_total             820
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cp51985f.cif
_cod_data_source_block           100k_20li
_cod_original_cell_volume        941.8(5)
_cod_original_sg_symbol_H-M      P4_2/nmc:1
_cod_original_formula_sum        'Li10 Ge P2 S12'
_cod_database_code               7215190
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+ 0.257(2) 0.2699(19) 0.1869(16) 0.077(6) Uani 0.474(16) 1 d P
Li2 Li+ 0.0000 0.5000 0.9469(9) 0.039(4) Uani 0.89(5) 4 d SP
Li3 Li+ 0.2471(15) 0.2471(15) 0.0000 0.149(16) Uani 0.72(4) 2 d SP
Li4 Li+ 0.0000 0.0000 0.2510(16) 0.076(9) Uani 0.77(6) 4 d SP
Ge1 Ge 0.0000 0.5000 0.69003(5) 0.0203(2) Uani 0.50 4 d SP
P1 P 0.0000 0.5000 0.69003(5) 0.0203(2) Uani 0.50 4 d SP
P2 P 0.0000 0.0000 0.5000 0.0188(3) Uani 1 8 d S
S1 S 0.0000 0.18954(11) 0.40664(8) 0.0335(3) Uani 1 2 d S
S2 S 0.0000 0.29440(12) 0.09561(7) 0.0283(2) Uani 1 2 d S
S3 S 0.0000 0.69990(11) 0.79051(7) 0.0266(2) 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 Li3 161.8(17) 9 .
Li1 Li1 S3 71.8(11) 9 8_656
Li3 Li1 S3 92.4(7) . 8_656
Li1 Li1 S3 68.6(11) 9 4_454
Li3 Li1 S3 126.5(8) . 4_454
S3 Li1 S3 140.5(9) 8_656 4_454
Li1 Li1 S1 124.5(17) 9 6
Li3 Li1 S1 64.0(6) . 6
S3 Li1 S1 93.7(6) 8_656 6
S3 Li1 S1 108.5(7) 4_454 6
Li1 Li1 S2 113.4(15) 9 .
Li3 Li1 S2 61.3(6) . .
S3 Li1 S2 106.0(7) 8_656 .
S3 Li1 S2 89.8(6) 4_454 .
S1 Li1 S2 122.1(8) 6 .
Li1 Li1 Ge1 94.1(13) 9 3_554
Li3 Li1 Ge1 92.4(6) . 3_554
S3 Li1 Ge1 140.2(8) 8_656 3_554
S3 Li1 Ge1 45.2(3) 4_454 3_554
S1 Li1 Ge1 123.6(7) 6 3_554
S2 Li1 Ge1 44.8(3) . 3_554
Li1 Li1 P1 94.1(13) 9 3_554
Li3 Li1 P1 92.4(6) . 3_554
S3 Li1 P1 140.2(8) 8_656 3_554
S3 Li1 P1 45.2(3) 4_454 3_554
S1 Li1 P1 123.6(7) 6 3_554
S2 Li1 P1 44.8(3) . 3_554
Ge1 Li1 P1 0.00(3) 3_554 3_554
Li1 Li1 Li4 86.5(14) 9 5
Li3 Li1 Li4 109.9(9) . 5
S3 Li1 Li4 120.7(7) 8_656 5
S3 Li1 Li4 57.3(4) 4_454 5
S1 Li1 Li4 54.9(5) 6 5
S2 Li1 Li4 133.1(7) . 5
Ge1 Li1 Li4 94.4(5) 3_554 5
P1 Li1 Li4 94.4(5) 3_554 5
Li1 Li1 Li4 64.2(12) 9 .
Li3 Li1 Li4 99.1(8) . .
S3 Li1 Li4 52.2(3) 8_656 .
S3 Li1 Li4 108.0(7) 4_454 .
S1 Li1 Li4 142.8(7) 6 .
S2 Li1 Li4 65.0(5) . .
Ge1 Li1 Li4 88.1(5) 3_554 .
P1 Li1 Li4 88.1(5) 3_554 .
Li4 Li1 Li4 150.7(7) 5 .
S2 Li2 S2 87.1(4) 2_566 1_556
S2 Li2 S3 177.8(3) 2_566 2_565
S2 Li2 S3 95.13(4) 1_556 2_565
S2 Li2 S3 95.13(4) 2_566 .
S2 Li2 S3 177.8(3) 1_556 .
S3 Li2 S3 82.6(3) 2_565 .
S2 Li2 S1 97.71(15) 2_566 4_455
S2 Li2 S1 97.71(15) 1_556 4_455
S3 Li2 S1 82.0(2) 2_565 4_455
S3 Li2 S1 82.0(2) . 4_455
S2 Li2 S1 97.71(15) 2_566 3
S2 Li2 S1 97.71(15) 1_556 3
S3 Li2 S1 82.0(2) 2_565 3
S3 Li2 S1 82.0(2) . 3
S1 Li2 S1 158.7(5) 4_455 3
S2 Li2 P1 43.54(18) 2_566 3
S2 Li2 P1 43.54(18) 1_556 3
S3 Li2 P1 138.68(17) 2_565 3
S3 Li2 P1 138.68(17) . 3
S1 Li2 P1 100.7(2) 4_455 3
S1 Li2 P1 100.7(2) 3 3
S2 Li2 Ge1 43.54(18) 2_566 3
S2 Li2 Ge1 43.54(18) 1_556 3
S3 Li2 Ge1 138.68(17) 2_565 3
S3 Li2 Ge1 138.68(17) . 3
S1 Li2 Ge1 100.7(2) 4_455 3
S1 Li2 Ge1 100.7(2) 3 3
P1 Li2 Ge1 0.0 3 3
S2 Li2 Li3 50.5(2) 2_566 11_566
S2 Li2 Li3 109.1(3) 1_556 11_566
S3 Li2 Li3 128.4(3) 2_565 11_566
S3 Li2 Li3 72.48(18) . 11_566
S1 Li2 Li3 135.3(3) 4_455 11_566
S1 Li2 Li3 50.8(3) 3 11_566
P1 Li2 Li3 77.7(2) 3 11_566
Ge1 Li2 Li3 77.7(2) 3 11_566
S2 Li2 Li3 109.1(3) 2_566 12_556
S2 Li2 Li3 50.5(2) 1_556 12_556
S3 Li2 Li3 72.48(18) 2_565 12_556
S3 Li2 Li3 128.4(3) . 12_556
S1 Li2 Li3 50.8(3) 4_455 12_556
S1 Li2 Li3 135.3(3) 3 12_556
P1 Li2 Li3 77.7(2) 3 12_556
Ge1 Li2 Li3 77.7(2) 3 12_556
Li3 Li2 Li3 155.3(4) 11_566 12_556
S2 Li2 Li3 50.5(2) 2_566 2_566
S2 Li2 Li3 109.1(3) 1_556 2_566
S3 Li2 Li3 128.4(3) 2_565 2_566
S3 Li2 Li3 72.48(18) . 2_566
S1 Li2 Li3 50.8(3) 4_455 2_566
S1 Li2 Li3 135.3(3) 3 2_566
P1 Li2 Li3 77.7(2) 3 2_566
Ge1 Li2 Li3 77.7(2) 3 2_566
Li3 Li2 Li3 86.1(7) 11_566 2_566
Li3 Li2 Li3 88.6(7) 12_556 2_566
S2 Li2 Li3 109.1(3) 2_566 1_556
S2 Li2 Li3 50.5(2) 1_556 1_556
S3 Li2 Li3 72.48(18) 2_565 1_556
S3 Li2 Li3 128.4(3) . 1_556
S1 Li2 Li3 135.3(3) 4_455 1_556
S1 Li2 Li3 50.8(3) 3 1_556
P1 Li2 Li3 77.7(2) 3 1_556
Ge1 Li2 Li3 77.7(2) 3 1_556
Li3 Li2 Li3 88.6(7) 11_566 1_556
Li3 Li2 Li3 86.1(7) 12_556 1_556
Li3 Li2 Li3 155.3(4) 2_566 1_556
Li1 Li3 Li1 170.3(12) . 7
Li1 Li3 S2 123.2(5) . 7
Li1 Li3 S2 62.4(5) 7 7
Li1 Li3 S2 62.4(5) . .
Li1 Li3 S2 123.2(5) 7 .
S2 Li3 S2 121.1(7) 7 .
Li1 Li3 S1 59.4(5) . 6
Li1 Li3 S1 112.4(7) 7 6
S2 Li3 S1 105.50(15) 7 6
S2 Li3 S1 118.7(2) . 6
Li1 Li3 S1 112.4(7) . 3_554
Li1 Li3 S1 59.4(5) 7 3_554
S2 Li3 S1 118.7(2) 7 3_554
S2 Li3 S1 105.50(15) . 3_554
S1 Li3 S1 80.9(5) 6 3_554
Li1 Li3 P2 85.1(6) . 3_554
Li1 Li3 P2 85.1(6) 7 3_554
S2 Li3 P2 119.4(4) 7 3_554
S2 Li3 P2 119.4(4) . 3_554
S1 Li3 P2 40.5(3) 6 3_554
S1 Li3 P2 40.5(3) 3_554 3_554
Li1 Li3 Li2 100.3(5) . 1_554
Li1 Li3 Li2 79.6(5) 7 1_554
S2 Li3 Li2 127.6(4) 7 1_554
S2 Li3 Li2 53.23(17) . 1_554
S1 Li3 Li2 122.4(5) 6 1_554
S1 Li3 Li2 56.46(13) 3_554 1_554
P2 Li3 Li2 89.4(3) 3_554 1_554
Li1 Li3 Li2 79.6(5) . 7_556
Li1 Li3 Li2 100.3(5) 7 7_556
S2 Li3 Li2 53.23(17) 7 7_556
S2 Li3 Li2 127.6(4) . 7_556
S1 Li3 Li2 56.46(13) 6 7_556
S1 Li3 Li2 122.4(5) 3_554 7_556
P2 Li3 Li2 89.4(3) 3_554 7_556
Li2 Li3 Li2 178.7(7) 1_554 7_556
S1 Li4 S1 79.9(6) . 2
S1 Li4 S3 98.7(3) . 7_456
S1 Li4 S3 98.7(3) 2 7_456
S1 Li4 S3 98.7(3) . 8_656
S1 Li4 S3 98.7(3) 2 8_656
S3 Li4 S3 157.2(8) 7_456 8_656
S1 Li4 Li1 51.2(4) . 9
S1 Li4 Li1 103.1(6) 2 9
S3 Li4 Li1 137.6(3) 7_456 9
S3 Li4 Li1 50.5(3) 8_656 9
S1 Li4 Li1 103.1(6) . 10_445
S1 Li4 Li1 51.2(4) 2 10_445
S3 Li4 Li1 50.5(3) 7_456 10_445
S3 Li4 Li1 137.6(3) 8_656 10_445
Li1 Li4 Li1 149.8(10) 9 10_445
S1 Li4 Li1 103.1(6) . 5_545
S1 Li4 Li1 51.2(4) 2 5_545
S3 Li4 Li1 137.6(3) 7_456 5_545
S3 Li4 Li1 50.5(3) 8_656 5_545
Li1 Li4 Li1 83.2(7) 9 5_545
Li1 Li4 Li1 89.0(7) 10_445 5_545
S1 Li4 Li1 51.2(4) . 6_455
S1 Li4 Li1 103.1(6) 2 6_455
S3 Li4 Li1 50.5(3) 7_456 6_455
S3 Li4 Li1 137.6(3) 8_656 6_455
Li1 Li4 Li1 89.0(7) 9 6_455
Li1 Li4 Li1 83.2(7) 10_445 6_455
Li1 Li4 Li1 149.8(10) 5_545 6_455
S1 Li4 Li1 129.6(6) . 2
S1 Li4 Li1 74.6(3) 2 2
S3 Li4 Li1 45.3(3) 7_456 2
S3 Li4 Li1 127.5(5) 8_656 2
Li1 Li4 Li1 177.0(6) 9 2
Li1 Li4 Li1 29.3(7) 10_445 2
Li1 Li4 Li1 93.77(18) 5_545 2
Li1 Li4 Li1 93.47(18) 6_455 2
S1 Li4 Li1 74.6(3) . .
S1 Li4 Li1 129.6(6) 2 .
S3 Li4 Li1 127.5(5) 7_456 .
S3 Li4 Li1 45.3(3) 8_656 .
Li1 Li4 Li1 29.3(7) 9 .
Li1 Li4 Li1 177.0(6) 10_445 .
Li1 Li4 Li1 93.47(18) 5_545 .
Li1 Li4 Li1 93.77(18) 6_455 .
Li1 Li4 Li1 151.9(10) 2 .
S1 Li4 Li1 74.6(3) . 14
S1 Li4 Li1 129.6(6) 2 14
S3 Li4 Li1 45.3(3) 7_456 14
S3 Li4 Li1 127.5(5) 8_656 14
Li1 Li4 Li1 93.77(18) 9 14
Li1 Li4 Li1 93.47(18) 10_445 14
Li1 Li4 Li1 177.0(6) 5_545 14
Li1 Li4 Li1 29.3(7) 6_455 14
Li1 Li4 Li1 89.2(6) 2 14
Li1 Li4 Li1 84.0(6) . 14
S1 Li4 Li1 129.6(6) . 13
S1 Li4 Li1 74.6(3) 2 13
S3 Li4 Li1 127.5(5) 7_456 13
S3 Li4 Li1 45.3(3) 8_656 13
Li1 Li4 Li1 93.47(18) 9 13
Li1 Li4 Li1 93.77(18) 10_445 13
Li1 Li4 Li1 29.3(7) 5_545 13
Li1 Li4 Li1 177.0(6) 6_455 13
Li1 Li4 Li1 84.0(6) 2 13
Li1 Li4 Li1 89.2(6) . 13
Li1 Li4 Li1 151.9(10) 14 13
S2 Ge1 S2 112.53(6) 4_455 3
S2 Ge1 S3 109.13(2) 4_455 .
S2 Ge1 S3 109.13(2) 3 .
S2 Ge1 S3 109.13(2) 4_455 2_565
S2 Ge1 S3 109.13(2) 3 2_565
S3 Ge1 S3 107.67(6) . 2_565
S2 Ge1 Li1 55.8(4) 4_455 4_455
S2 Ge1 Li1 123.2(4) 3 4_455
S3 Ge1 Li1 127.5(4) . 4_455
S3 Ge1 Li1 53.6(4) 2_565 4_455
S2 Ge1 Li1 123.2(4) 4_455 3
S2 Ge1 Li1 55.8(4) 3 3
S3 Ge1 Li1 53.6(4) . 3
S3 Ge1 Li1 127.5(4) 2_565 3
Li1 Ge1 Li1 178.5(8) 4_455 3
S2 Ge1 Li1 123.2(4) 4_455 15
S2 Ge1 Li1 55.8(4) 3 15
S3 Ge1 Li1 127.5(4) . 15
S3 Ge1 Li1 53.6(4) 2_565 15
Li1 Ge1 Li1 83.6(7) 4_455 15
Li1 Ge1 Li1 96.3(7) 3 15
S2 Ge1 Li1 55.8(4) 4_455 16_455
S2 Ge1 Li1 123.2(4) 3 16_455
S3 Ge1 Li1 53.6(4) . 16_455
S3 Ge1 Li1 127.5(4) 2_565 16_455
Li1 Ge1 Li1 96.3(7) 4_455 16_455
Li1 Ge1 Li1 83.6(7) 3 16_455
Li1 Ge1 Li1 178.5(8) 15 16_455
S2 Ge1 Li2 56.27(3) 4_455 3_554
S2 Ge1 Li2 56.27(3) 3 3_554
S3 Ge1 Li2 126.16(3) . 3_554
S3 Ge1 Li2 126.16(3) 2_565 3_554
Li1 Ge1 Li2 89.3(4) 4_455 3_554
Li1 Ge1 Li2 89.3(4) 3 3_554
Li1 Ge1 Li2 89.3(4) 15 3_554
Li1 Ge1 Li2 89.3(4) 16_455 3_554
S2 Ge1 Li2 123.73(3) 4_455 .
S2 Ge1 Li2 123.73(3) 3 .
S3 Ge1 Li2 53.84(3) . .
S3 Ge1 Li2 53.84(3) 2_565 .
Li1 Ge1 Li2 90.7(4) 4_455 .
Li1 Ge1 Li2 90.7(4) 3 .
Li1 Ge1 Li2 90.7(4) 15 .
Li1 Ge1 Li2 90.7(4) 16_455 .
Li2 Ge1 Li2 180.000(2) 3_554 .
S1 P2 S1 109.82(3) 2 7_556
S1 P2 S1 108.77(6) 2 .
S1 P2 S1 109.82(3) 7_556 .
S1 P2 S1 109.82(3) 2 8_556
S1 P2 S1 108.77(6) 7_556 8_556
S1 P2 S1 109.82(3) . 8_556
S1 P2 Li3 125.089(16) 2 9
S1 P2 Li3 54.911(16) 7_556 9
S1 P2 Li3 54.911(16) . 9
S1 P2 Li3 125.089(16) 8_556 9
S1 P2 Li3 54.911(16) 2 10_445
S1 P2 Li3 125.089(16) 7_556 10_445
S1 P2 Li3 125.089(16) . 10_445
S1 P2 Li3 54.911(16) 8_556 10_445
Li3 P2 Li3 180.0(3) 9 10_445
S1 P2 Li3 125.089(16) 2 4_455
S1 P2 Li3 125.089(16) 7_556 4_455
S1 P2 Li3 54.911(16) . 4_455
S1 P2 Li3 54.911(16) 8_556 4_455
Li3 P2 Li3 90.0 9 4_455
Li3 P2 Li3 90.0 10_445 4_455
S1 P2 Li3 54.911(16) 2 3_545
S1 P2 Li3 54.911(16) 7_556 3_545
S1 P2 Li3 125.089(16) . 3_545
S1 P2 Li3 125.089(16) 8_556 3_545
Li3 P2 Li3 90.0 9 3_545
Li3 P2 Li3 90.0 10_445 3_545
Li3 P2 Li3 180.0 4_455 3_545
P2 S1 Li1 113.5(4) . 9
P2 S1 Li1 113.5(4) . 6_455
Li1 S1 Li1 119.4(10) 9 6_455
P2 S1 Li3 84.6(3) . 9
Li1 S1 Li3 56.6(5) 9 9
Li1 S1 Li3 159.2(5) 6_455 9
P2 S1 Li3 84.6(3) . 4_455
Li1 S1 Li3 159.2(5) 9 4_455
Li1 S1 Li3 56.6(5) 6_455 4_455
Li3 S1 Li3 118.71(9) 9 4_455
P2 S1 Li4 85.7(3) . .
Li1 S1 Li4 73.9(5) 9 .
Li1 S1 Li4 73.9(5) 6_455 .
Li3 S1 Li4 119.50(6) 9 .
Li3 S1 Li4 119.50(6) 4_455 .
P2 S1 Li2 133.7(2) . 3_554
Li1 S1 Li2 87.0(4) 9 3_554
Li1 S1 Li2 87.0(4) 6_455 3_554
Li3 S1 Li2 72.7(2) 9 3_554
Li3 S1 Li2 72.7(2) 4_455 3_554
Li4 S1 Li2 140.6(4) . 3_554
P1 S2 Ge1 0.00(3) 3_554 3_554
P1 S2 Li3 113.9(4) 3_554 12
Ge1 S2 Li3 113.9(4) 3_554 12
P1 S2 Li3 113.9(4) 3_554 .
Ge1 S2 Li3 113.9(4) 3_554 .
Li3 S2 Li3 118.6(5) 12 .
P1 S2 Li1 79.4(4) 3_554 .
Ge1 S2 Li1 79.4(4) 3_554 .
Li3 S2 Li1 165.6(5) 12 .
Li3 S2 Li1 56.4(5) . .
P1 S2 Li1 79.4(4) 3_554 14
Ge1 S2 Li1 79.4(4) 3_554 14
Li3 S2 Li1 56.4(5) 12 14
Li3 S2 Li1 165.6(5) . 14
Li1 S2 Li1 124.6(9) . 14
P1 S2 Li2 80.19(18) 3_554 1_554
Ge1 S2 Li2 80.19(18) 3_554 1_554
Li3 S2 Li2 76.27(18) 12 1_554
Li3 S2 Li2 76.27(18) . 1_554
Li1 S2 Li2 112.9(4) . 1_554
Li1 S2 Li2 112.9(4) 14 1_554
Ge1 S3 Li1 101.3(5) . 11_566
Ge1 S3 Li1 101.3(5) . 8_566
Li1 S3 Li1 157.3(10) 11_566 8_566
Ge1 S3 Li1 81.3(5) . 16_455
Li1 S3 Li1 146.6(2) 11_566 16_455
Li1 S3 Li1 39.5(9) 8_566 16_455
Ge1 S3 Li1 81.3(5) . 3
Li1 S3 Li1 39.5(9) 11_566 3
Li1 S3 Li1 146.6(2) 8_566 3
Li1 S3 Li1 110.0(9) 16_455 3
Ge1 S3 Li2 84.84(17) . .
Li1 S3 Li2 90.8(5) 11_566 .
Li1 S3 Li2 90.8(5) 8_566 .
Li1 S3 Li2 122.5(4) 16_455 .
Li1 S3 Li2 122.5(4) 3 .
Ge1 S3 Li4 132.5(4) . 7_566
Li1 S3 Li4 82.6(5) 11_566 7_566
Li1 S3 Li4 82.6(5) 8_566 7_566
Li1 S3 Li4 72.2(5) 16_455 7_566
Li1 S3 Li4 72.2(5) 3 7_566
Li2 S3 Li4 142.7(5) . 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 1.63(4) 9
Li1 Li3 2.36(2) .
Li1 S3 2.382(17) 8_656
Li1 S3 2.430(17) 4_454
Li1 S1 2.434(18) 6
Li1 S2 2.51(2) .
Li1 Ge1 2.986(17) 3_554
Li1 P1 2.986(17) 3_554
Li1 Li4 2.998(19) 5
Li1 Li4 3.324(19) .
Li2 S2 2.582(8) 2_566
Li2 S2 2.582(8) 1_556
Li2 S3 2.619(9) 2_565
Li2 S3 2.619(9) .
Li2 S1 2.733(2) 4_455
Li2 S1 2.733(2) 3
Li2 P1 3.059(12) 3
Li2 Ge1 3.059(12) 3
Li2 Li3 3.131(3) 11_566
Li2 Li3 3.131(3) 12_556
Li2 Li3 3.131(3) 2_566
Li2 Li3 3.131(3) 1_556
Li3 Li1 2.36(2) 7
Li3 S2 2.487(9) 7
Li3 S2 2.487(9) .
Li3 S1 2.543(14) 6
Li3 S1 2.543(14) 3_554
Li3 P2 3.094(18) 3_554
Li3 Li2 3.131(3) 1_554
Li3 Li2 3.131(3) 7_556
Li4 S1 2.554(15) .
Li4 S1 2.554(15) 2
Li4 S3 2.649(4) 7_456
Li4 S3 2.649(4) 8_656
Li4 Li1 2.998(19) 9
Li4 Li1 2.998(19) 10_445
Li4 Li1 2.998(19) 5_545
Li4 Li1 2.998(19) 6_455
Li4 Li1 3.324(19) 2
Li4 Li1 3.324(19) 14
Li4 Li1 3.324(19) 13
Ge1 S2 2.1390(12) 4_455
Ge1 S2 2.1390(12) 3
Ge1 S3 2.1423(11) .
Ge1 S3 2.1423(11) 2_565
Ge1 Li1 2.986(17) 4_455
Ge1 Li1 2.986(17) 3
Ge1 Li1 2.986(17) 15
Ge1 Li1 2.986(17) 16_455
Ge1 Li2 3.059(12) 3_554
P2 S1 2.0172(11) 2
P2 S1 2.0172(11) 7_556
P2 S1 2.0172(11) .
P2 S1 2.0172(11) 8_556
P2 Li3 3.094(19) 9
P2 Li3 3.094(19) 10_445
P2 Li3 3.094(18) 4_455
P2 Li3 3.094(18) 3_545
S1 Li1 2.434(19) 9
S1 Li1 2.434(19) 6_455
S1 Li3 2.543(14) 9
S1 Li3 2.543(14) 4_455
S1 Li2 2.733(2) 3_554
S2 P1 2.1390(12) 3_554
S2 Ge1 2.1390(12) 3_554
S2 Li3 2.487(9) 12
S2 Li1 2.51(2) 14
S2 Li2 2.582(8) 1_554
S3 Li1 2.382(17) 11_566
S3 Li1 2.382(17) 8_566
S3 Li1 2.430(17) 16_455
S3 Li1 2.430(17) 3
S3 Li4 2.649(4) 7_566
