# Electronic Supplementary Material (ESI) for Journal of Materials Chemistry A.
# This journal is © The Royal Society of Chemistry 2021

####################################################################### 
# 
# This file contains crystal structure data downloaded from the 
# Cambridge Structural Database (CSD) hosted by the Cambridge 
# Crystallographic Data Centre (CCDC).
# 
# Full information about CCDC data access policies and citation 
# guidelines are available at http://www.ccdc.cam.ac.uk/access/V1 
# 
# Audit and citation data items may have been added by the CCDC. 
# Please retain this information to preserve the provenance of 
# this file and to allow appropriate attribution of the data. 
# 
#######################################################################

data_I
_database_code_depnum_ccdc_archive 'CCDC 2051651'
loop_
_audit_author_name
_audit_author_address
'Takeshi Yajima'
;The University of Tokyo
Japan
;
_audit_update_record             
;
2020-12-21 deposited with the CCDC.	2021-04-07 downloaded from the CCDC.
;
#=======================================================================

# 5. CHEMICAL DATA

_chemical_name_systematic        
; ?
;
_chemical_name_common            ?
_chemical_formula_moiety         ?
_chemical_formula_structural     ?
_chemical_formula_analytical     ?
_chemical_formula_iupac          ?
_chemical_formula_sum            'Ge1.34 Li10.36 P1.66 S12'
_chemical_formula_weight         605.3
_chemical_melting_point          ?
_chemical_compound_source        ?
_chemical_absolute_configuration .

#=======================================================================

# 6. CRYSTAL DATA

_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_H-M   'P 42/n m c'
_symmetry_space_group_name_Hall  '-P 4ac;-2a'
_symmetry_Int_Tables_number      137

loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 -x,-y,z
3 -y+1/2,x+1/2,z+1/2
4 y+1/2,-x+1/2,z+1/2
5 -x+1/2,y+1/2,-z+1/2
6 x+1/2,-y+1/2,-z+1/2
7 y,x,-z
8 -y,-x,-z
9 -x+1/2,-y+1/2,-z+1/2
10 x+1/2,y+1/2,-z+1/2
11 y,-x,-z
12 -y,x,-z
13 x,-y,z
14 -x,y,z
15 -y+1/2,-x+1/2,z+1/2
16 y+1/2,x+1/2,z+1/2

_cell_length_a                   8.704(14)
_cell_length_b                   8.704(14)
_cell_length_c                   12.61(2)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     956(3)

loop_
_twin_individual_id
_twin_individual_mass_fraction_refined
_twin_individual_twin_matrix_11
_twin_individual_twin_matrix_12
_twin_individual_twin_matrix_13
_twin_individual_twin_matrix_21
_twin_individual_twin_matrix_22
_twin_individual_twin_matrix_23
_twin_individual_twin_matrix_31
_twin_individual_twin_matrix_32
_twin_individual_twin_matrix_33
? ? ? ? ? ? ? ? ? ? ?

_cell_formula_units_Z            2

_cell_measurement_reflns_used    4534
_cell_measurement_theta_min      2.93
_cell_measurement_theta_max      37.83
_cell_measurement_temperature    293
_cell_special_details            
; ?
;

_exptl_crystal_density_diffrn    2.1035
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_F_000             61.296

_exptl_absorpt_coefficient_mu    0.0421
_exptl_crystal_description       block
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_crystal_size_rad          ?
_exptl_crystal_colour            ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
? ? ? ?

#=======================================================================

# 7. EXPERIMENTAL DATA

_exptl_special_details           ?

_diffrn_ambient_temperature      293
_diffrn_source                   ?
_diffrn_source_power             ?
_diffrn_source_voltage           ?
_diffrn_source_current           ?
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_source         ?
_diffrn_radiation_wavelength     ?
_diffrn_radiation_monochromator  ?
_diffrn_measurement_device       ?
_diffrn_measurement_device_type  SENJU
_diffrn_detector                 ?
_diffrn_detector_area_resol_mean ?
_diffrn_measurement_method       ?
_diffrn_measurement_specimen_support ?

_diffrn_reflns_number            4534
_diffrn_reflns_theta_min         2.93
_diffrn_reflns_theta_max         37.83
_diffrn_reflns_theta_full        31.89
_diffrn_measured_fraction_theta_max 0.92
_diffrn_measured_fraction_theta_full 0.93
_diffrn_reflns_av_R_equivalents  ?
_diffrn_reflns_av_unetI/netI     0.3474
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_reduction_process ?

_diffrn_standards_number         ?
_diffrn_standards_interval_count ?
_diffrn_standards_interval_time  ?
_diffrn_standards_decay_%        ?
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
? ? ?

_diffrn_radiation_probe          neutron

#=======================================================================

# 8. REFINEMENT DATA

_refine_special_details          
; ?
;

_reflns_number_total             4534
_reflns_number_gt                1606
_reflns_threshold_expression     I>3σ(I)

_refine_ls_structure_factor_coef F
_refine_ls_R_factor_gt           0.0817
_refine_ls_wR_factor_gt          0.0658
_refine_ls_R_factor_all          0.2719
_refine_ls_wR_factor_ref         0.0798
_refine_ls_goodness_of_fit_ref   1.91
_refine_ls_goodness_of_fit_gt    2.68
_refine_ls_restrained_S_gt       ?
_refine_ls_restrained_S_all      ?
_refine_ls_number_reflns         4534
_refine_ls_number_parameters     64
_refine_ls_number_restraints     0
_refine_ls_number_constraints    4
_refine_ls_weighting_scheme      sigma
_refine_ls_weighting_details     w=1/(σ²(F)+0.0001F²)
_refine_ls_hydrogen_treatment    ?
_refine_ls_shift/su_max          0.0004
_refine_ls_shift/su_mean         0.0000
_refine_diff_density_max         ?
_refine_diff_density_min         ?
_refine_ls_extinction_method     'SHELXL-2017/1 (Sheldrick, 2015)'
_refine_ls_extinction_coef       0.0036(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_abs_structure_details ?
_refine_ls_abs_structure_Flack   ?
_refine_ls_abs_structure_Rogers  ?

loop_
_atom_type_symbol
_atom_type_scat_length_neutron
_atom_type_scat_source
Ge 8.185 International_Tables_Vol_C
Li -2.220 International_Tables_Vol_C
P 5.130 International_Tables_Vol_C
S 2.847 International_Tables_Vol_C

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    ?
_computing_structure_refinement  ?
_computing_molecular_graphics    ?
_computing_publication_material  ?

loop_
_restr_distance_atom_site_label_1
_restr_distance_site_symmetry_1
_restr_distance_atom_site_label_2
_restr_distance_site_symmetry_2
_restr_distance_target
_restr_distance_target_weight_param
? ? ? ? ? ?

loop_
_restr_angle_atom_site_label_1
_restr_angle_site_symmetry_1
_restr_angle_atom_site_label_2
_restr_angle_site_symmetry_2
_restr_angle_atom_site_label_3
_restr_angle_site_symmetry_3
_restr_angle_target
_restr_angle_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_torsion_atom_site_label_1
_restr_torsion_site_symmetry_1
_restr_torsion_atom_site_label_2
_restr_torsion_site_symmetry_2
_restr_torsion_atom_site_label_3
_restr_torsion_site_symmetry_3
_restr_torsion_atom_site_label_4
_restr_torsion_site_symmetry_4
_restr_torsion_angle_target
_restr_torsion_weight_param
? ? ? ? ? ? ? ? ? ?

loop_
_restr_equal_distance_atom_site_label_1
_restr_equal_distance_site_symmetry_1
_restr_equal_distance_atom_site_label_2
_restr_equal_distance_site_symmetry_2
_restr_equal_distance_class_class_id
_restr_equal_distance_class_target_weight_param
? ? ? ? ? ?

loop_
_restr_equal_angle_atom_site_label_1
_restr_equal_angle_site_symmetry_1
_restr_equal_angle_atom_site_label_2
_restr_equal_angle_site_symmetry_2
_restr_equal_angle_atom_site_label_3
_restr_equal_angle_site_symmetry_3
_restr_equal_angle_class_class_id
_restr_equal_angle_class_target_weight_param
? ? ? ? ? ? ? ?

loop_
_restr_equal_torsion_atom_site_label_1
_restr_equal_torsion_site_symmetry_1
_restr_equal_torsion_atom_site_label_2
_restr_equal_torsion_site_symmetry_2
_restr_equal_torsion_atom_site_label_3
_restr_equal_torsion_site_symmetry_3
_restr_equal_torsion_atom_site_label_4
_restr_equal_torsion_site_symmetry_4
_restr_equal_torsion_class_class_id
_restr_equal_torsion_class_target_weight_param
? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 9. ATOMIC COORDINATES AND DISPLACEMENT PARAMETERS

loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_site_symmetry_multiplicity
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Li1 Li 0.2556(7) 0.2659(5) 0.1860(6) Uani 0.142(5) 16 0.515(10) d . . .
Li2 Li 0 0.5 0.9459(3) Uani 0.0529(19) 4 0.918(12) d . . .
Li3a Li 0.2274(9) 0.2593(8) -0.0358(5) Uani 0.077(4) 16 0.361(6) d . . .
Li4 Li 0 0 0.2511(4) Uani 0.082(4) 4 0.759(15) d . . .
Ge1 Ge 0 0.5 0.69079(7) Uani 0.0201(3) 4 0.67 d . . .
P1 P 0 0.5 0.69079(7) Uani 0.0201(3) 4 0.33 d . . .
P2 P 0 0 0.5 Uani 0.0171(4) 2 1 d . . .
S1 S 0 0.18483(18) 0.40891(13) Uani 0.0274(6) 8 1 d . . .
S2 S 0 0.2944(2) 0.09635(12) Uani 0.0277(6) 8 1 d . . .
S3 S 0 0.70029(19) 0.79162(13) Uani 0.0253(6) 8 1 d . . .


loop_
_jana_atom_site_ADP_C_label
_jana_atom_site_ADP_C_type_symbol
_jana_atom_site_ADP_C_111
_jana_atom_site_ADP_C_112
_jana_atom_site_ADP_C_113
_jana_atom_site_ADP_C_122
_jana_atom_site_ADP_C_123
_jana_atom_site_ADP_C_133
_jana_atom_site_ADP_C_222
_jana_atom_site_ADP_C_223
_jana_atom_site_ADP_C_233
_jana_atom_site_ADP_C_333
? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_D_label
_jana_atom_site_ADP_D_type_symbol
_jana_atom_site_ADP_D_1111
_jana_atom_site_ADP_D_1112
_jana_atom_site_ADP_D_1113
_jana_atom_site_ADP_D_1122
_jana_atom_site_ADP_D_1123
_jana_atom_site_ADP_D_1133
_jana_atom_site_ADP_D_1222
_jana_atom_site_ADP_D_1223
_jana_atom_site_ADP_D_1233
_jana_atom_site_ADP_D_1333
_jana_atom_site_ADP_D_2222
_jana_atom_site_ADP_D_2223
_jana_atom_site_ADP_D_2233
_jana_atom_site_ADP_D_2333
_jana_atom_site_ADP_D_3333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_E_label
_jana_atom_site_ADP_E_type_symbol
_jana_atom_site_ADP_E_11111
_jana_atom_site_ADP_E_11112
_jana_atom_site_ADP_E_11113
_jana_atom_site_ADP_E_11122
_jana_atom_site_ADP_E_11123
_jana_atom_site_ADP_E_11133
_jana_atom_site_ADP_E_11222
_jana_atom_site_ADP_E_11223
_jana_atom_site_ADP_E_11233
_jana_atom_site_ADP_E_11333
_jana_atom_site_ADP_E_12222
_jana_atom_site_ADP_E_12223
_jana_atom_site_ADP_E_12233
_jana_atom_site_ADP_E_12333
_jana_atom_site_ADP_E_13333
_jana_atom_site_ADP_E_22222
_jana_atom_site_ADP_E_22223
_jana_atom_site_ADP_E_22233
_jana_atom_site_ADP_E_22333
_jana_atom_site_ADP_E_23333
_jana_atom_site_ADP_E_33333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?

loop_
_jana_atom_site_ADP_F_label
_jana_atom_site_ADP_F_type_symbol
_jana_atom_site_ADP_F_111111
_jana_atom_site_ADP_F_111112
_jana_atom_site_ADP_F_111113
_jana_atom_site_ADP_F_111122
_jana_atom_site_ADP_F_111123
_jana_atom_site_ADP_F_111133
_jana_atom_site_ADP_F_111222
_jana_atom_site_ADP_F_111223
_jana_atom_site_ADP_F_111233
_jana_atom_site_ADP_F_111333
_jana_atom_site_ADP_F_112222
_jana_atom_site_ADP_F_112223
_jana_atom_site_ADP_F_112233
_jana_atom_site_ADP_F_112333
_jana_atom_site_ADP_F_113333
_jana_atom_site_ADP_F_122222
_jana_atom_site_ADP_F_122223
_jana_atom_site_ADP_F_122233
_jana_atom_site_ADP_F_122333
_jana_atom_site_ADP_F_123333
_jana_atom_site_ADP_F_133333
_jana_atom_site_ADP_F_222222
_jana_atom_site_ADP_F_222223
_jana_atom_site_ADP_F_222233
_jana_atom_site_ADP_F_222333
_jana_atom_site_ADP_F_223333
_jana_atom_site_ADP_F_233333
_jana_atom_site_ADP_F_333333
? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ? ?


#=======================================================================

# 10. MOLECULAR GEOMETRY


loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Li1 Li1 . 9_555 1.642(12) ?
Li1 Li2 . 7_556 3.556(9) ?
Li1 Li3a . . 2.809(13) ?
Li1 Li3a . 7_555 1.924(11) ?
Li1 Li3a . 15_555 3.513(15) ?
Li1 Li4 . . 3.314(9) ?
Li1 Li4 . 5_555 3.051(9) ?
Li1 Ge1 . 3_554 3.017(9) ?
Li1 P1 . 3_554 3.017(9) ?
Li1 S1 . 6_555 2.478(9) ?
Li1 S2 . . 2.508(9) ?
Li1 S3 . 4_454 2.482(8) ?
Li1 S3 . 8_656 2.363(9) ?
Li2 Li3a . 1_556 2.891(10) ?
Li2 Li3a . 2_566 2.891(10) ?
Li2 Li3a . 7_556 3.466(10) ?
Li2 Li3a . 8_566 3.466(10) ?
Li2 Li3a . 11_566 3.466(10) ?
Li2 Li3a . 12_556 3.466(10) ?
Li2 Li3a . 13_566 2.891(10) ?
Li2 Li3a . 14_556 2.891(10) ?
Li2 Ge1 . . 3.218(11) ?
Li2 Ge1 . 3_555 3.090(10) ?
Li2 P1 . 3_555 3.090(10) ?
Li2 S1 . 3_555 2.783(9) ?
Li2 S1 . 4_455 2.783(9) ?
Li2 S2 . 1_556 2.609(7) ?
Li2 S2 . 2_566 2.609(7) ?
Li2 S3 . . 2.612(7) ?
Li2 S3 . 2_565 2.612(7) ?
Li3a Li3a . 7_555 0.985(9) ?
Li3a P2 . 3_554 3.197(10) ?
Li3a S1 . 3_554 2.336(9) ?
Li3a S1 . 6_555 2.903(10) ?
Li3a S2 . . 2.606(9) ?
Li3a S2 . 7_555 2.453(10) ?
Li3a S3 . 2_564 2.963(10) ?
Li4 P2 . . 3.140(11) ?
Li4 S1 . . 2.560(7) ?
Li4 S1 . 2_555 2.560(7) ?
Li4 S3 . 7_456 2.664(8) ?
Li4 S3 . 8_656 2.664(8) ?
Ge1 P1 . . 0 ?
Ge1 S2 . 3_555 2.150(6) ?
Ge1 S2 . 4_455 2.150(6) ?
Ge1 S3 . . 2.158(5) ?
Ge1 S3 . 2_565 2.158(5) ?
P1 S2 . 3_555 2.150(6) ?
P1 S2 . 4_455 2.150(6) ?
P1 S3 . . 2.158(5) ?
P1 S3 . 2_565 2.158(5) ?
P2 S1 . . 1.977(5) ?
P2 S1 . 2_555 1.977(5) ?
P2 S1 . 7_556 1.977(5) ?
P2 S1 . 8_556 1.977(5) ?

loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_2
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
Li1 Li1 Li2 9_555 . 7_556 112.7(3) ?
Li1 Li1 Li3a 9_555 . . 166.2(4) ?
Li1 Li1 Li3a 9_555 . 7_555 160.1(4) ?
Li1 Li1 Li3a 9_555 . 15_555 10.7(2) ?
Li1 Li1 Li4 9_555 . . 66.3(3) ?
Li1 Li1 Li4 9_555 . 5_555 84.1(3) ?
Li1 Li1 Ge1 9_555 . 3_554 92.9(3) ?
Li1 Li1 P1 9_555 . 3_554 92.9(3) ?
Li1 Li1 S1 9_555 . 6_555 123.7(4) ?
Li1 Li1 S2 9_555 . . 114.1(4) ?
Li1 Li1 S3 9_555 . 4_454 66.3(3) ?
Li1 Li1 S3 9_555 . 8_656 74.1(3) ?
Li2 Li1 Li3a 7_556 . . 64.7(2) ?
Li2 Li1 Li3a 7_556 . 7_555 54.3(3) ?
Li2 Li1 Li3a 7_556 . 15_555 120.0(2) ?
Li2 Li1 Li4 7_556 . . 93.60(17) ?
Li2 Li1 Li4 7_556 . 5_555 98.01(19) ?
Li2 Li1 Ge1 7_556 . 3_554 152.9(3) ?
Li2 Li1 P1 7_556 . 3_554 152.9(3) ?
Li2 Li1 S1 7_556 . 6_555 51.19(14) ?
Li2 Li1 S2 7_556 . . 112.6(2) ?
Li2 Li1 S3 7_556 . 4_454 154.3(2) ?
Li2 Li1 S3 7_556 . 8_656 47.26(13) ?
Li3a Li1 Li3a . . 7_555 10.7(3) ?
Li3a Li1 Li3a . . 15_555 172.9(3) ?
Li3a Li1 Li4 . . . 100.0(2) ?
Li3a Li1 Li4 . . 5_555 109.5(3) ?
Li3a Li1 Ge1 . . 3_554 88.2(2) ?
Li3a Li1 P1 . . 3_554 88.2(2) ?
Li3a Li1 S1 . . 6_555 66.3(2) ?
Li3a Li1 S2 . . . 58.4(2) ?
Li3a Li1 S3 . . 4_454 122.3(3) ?
Li3a Li1 S3 . . 8_656 96.5(3) ?
Li3a Li1 Li3a 7_555 . 15_555 170.8(4) ?
Li3a Li1 Li4 7_555 . . 97.7(3) ?
Li3a Li1 Li4 7_555 . 5_555 111.2(3) ?
Li3a Li1 Ge1 7_555 . 3_554 98.6(3) ?
Li3a Li1 P1 7_555 . 3_554 98.6(3) ?
Li3a Li1 S1 7_555 . 6_555 62.6(3) ?
Li3a Li1 S2 7_555 . . 65.7(3) ?
Li3a Li1 S3 7_555 . 4_454 132.5(4) ?
Li3a Li1 S3 7_555 . 8_656 86.8(3) ?
Li3a Li1 Li4 15_555 . . 74.9(2) ?
Li3a Li1 Li4 15_555 . 5_555 75.8(2) ?
Li3a Li1 Ge1 15_555 . 3_554 86.6(2) ?
Li3a Li1 P1 15_555 . 3_554 86.6(2) ?
Li3a Li1 S1 15_555 . 6_555 120.8(3) ?
Li3a Li1 S2 15_555 . . 114.6(2) ?
Li3a Li1 S3 15_555 . 4_454 56.1(2) ?
Li3a Li1 S3 15_555 . 8_656 84.4(2) ?
Li4 Li1 Li4 . . 5_555 150.5(3) ?
Li4 Li1 Ge1 . . 3_554 88.38(19) ?
Li4 Li1 P1 . . 3_554 88.38(19) ?
Li4 Li1 S1 . . 6_555 144.8(2) ?
Li4 Li1 S2 . . . 65.48(16) ?
Li4 Li1 S3 . . 4_454 108.1(2) ?
Li4 Li1 S3 . . 8_656 52.79(14) ?
Li4 Li1 Ge1 5_555 . 3_554 93.32(18) ?
Li4 Li1 P1 5_555 . 3_554 93.32(18) ?
Li4 Li1 S1 5_555 . 6_555 53.96(15) ?
Li4 Li1 S2 5_555 . . 132.1(2) ?
Li4 Li1 S3 5_555 . 4_454 56.44(15) ?
Li4 Li1 S3 5_555 . 8_656 120.6(2) ?
Ge1 Li1 P1 3_554 . 3_554 0.0(5) ?
Ge1 Li1 S1 3_554 . 6_555 121.7(2) ?
Ge1 Li1 S2 3_554 . . 44.63(11) ?
Ge1 Li1 S3 3_554 . 4_454 44.91(11) ?
Ge1 Li1 S3 3_554 . 8_656 141.1(2) ?
P1 Li1 S1 3_554 . 6_555 121.7(2) ?
P1 Li1 S2 3_554 . . 44.63(11) ?
P1 Li1 S3 3_554 . 4_454 44.91(11) ?
P1 Li1 S3 3_554 . 8_656 141.1(2) ?
S1 Li1 S2 6_555 . . 121.8(3) ?
S1 Li1 S3 6_555 . 4_454 106.5(2) ?
S1 Li1 S3 6_555 . 8_656 95.0(2) ?
S2 Li1 S3 . . 4_454 89.37(19) ?
S2 Li1 S3 . . 8_656 107.1(2) ?
S3 Li1 S3 4_454 . 8_656 140.5(3) ?
Li1 Li2 Li1 7_556 . 8_566 124.2(2) ?
Li1 Li2 Li1 7_556 . 11_566 73.48(18) ?
Li1 Li2 Li1 7_556 . 12_556 81.21(18) ?
Li1 Li2 Li3a 7_556 . 1_556 32.70(17) ?
Li1 Li2 Li3a 7_556 . 2_566 156.4(2) ?
Li1 Li2 Li3a 7_556 . 7_556 47.13(17) ?
Li1 Li2 Li3a 7_556 . 8_566 170.55(18) ?
Li1 Li2 Li3a 7_556 . 11_566 97.97(18) ?
Li1 Li2 Li3a 7_556 . 12_556 99.64(19) ?
Li1 Li2 Li3a 7_556 . 13_566 91.4(2) ?
Li1 Li2 Li3a 7_556 . 14_556 92.8(2) ?
Li1 Li2 Ge1 7_556 . . 62.12(13) ?
Li1 Li2 Ge1 7_556 . 3_555 117.88(13) ?
Li1 Li2 P1 7_556 . 3_555 117.88(13) ?
Li1 Li2 S1 7_556 . 3_555 43.95(10) ?
Li1 Li2 S1 7_556 . 4_455 124.28(14) ?
Li1 Li2 S2 7_556 . 1_556 85.98(15) ?
Li1 Li2 S2 7_556 . 2_566 138.64(12) ?
Li1 Li2 S3 7_556 . . 92.92(17) ?
Li1 Li2 S3 7_556 . 2_565 41.63(11) ?
Li1 Li2 Li1 8_566 . 11_566 81.21(18) ?
Li1 Li2 Li1 8_566 . 12_556 73.48(18) ?
Li1 Li2 Li3a 8_566 . 1_556 156.4(2) ?
Li1 Li2 Li3a 8_566 . 2_566 32.70(17) ?
Li1 Li2 Li3a 8_566 . 7_556 170.55(18) ?
Li1 Li2 Li3a 8_566 . 8_566 47.13(17) ?
Li1 Li2 Li3a 8_566 . 11_566 99.64(19) ?
Li1 Li2 Li3a 8_566 . 12_556 97.97(18) ?
Li1 Li2 Li3a 8_566 . 13_566 92.8(2) ?
Li1 Li2 Li3a 8_566 . 14_556 91.4(2) ?
Li1 Li2 Ge1 8_566 . . 62.12(13) ?
Li1 Li2 Ge1 8_566 . 3_555 117.88(13) ?
Li1 Li2 P1 8_566 . 3_555 117.88(13) ?
Li1 Li2 S1 8_566 . 3_555 124.28(14) ?
Li1 Li2 S1 8_566 . 4_455 43.95(10) ?
Li1 Li2 S2 8_566 . 1_556 138.64(12) ?
Li1 Li2 S2 8_566 . 2_566 85.98(15) ?
Li1 Li2 S3 8_566 . . 41.63(11) ?
Li1 Li2 S3 8_566 . 2_565 92.92(17) ?
Li1 Li2 Li1 11_566 . 12_556 124.2(2) ?
Li1 Li2 Li3a 11_566 . 1_556 91.4(2) ?
Li1 Li2 Li3a 11_566 . 2_566 92.8(2) ?
Li1 Li2 Li3a 11_566 . 7_556 97.97(18) ?
Li1 Li2 Li3a 11_566 . 8_566 99.64(19) ?
Li1 Li2 Li3a 11_566 . 11_566 47.13(17) ?
Li1 Li2 Li3a 11_566 . 12_556 170.55(18) ?
Li1 Li2 Li3a 11_566 . 13_566 32.70(17) ?
Li1 Li2 Li3a 11_566 . 14_556 156.4(2) ?
Li1 Li2 Ge1 11_566 . . 62.12(13) ?
Li1 Li2 Ge1 11_566 . 3_555 117.88(13) ?
Li1 Li2 P1 11_566 . 3_555 117.88(13) ?
Li1 Li2 S1 11_566 . 3_555 43.95(10) ?
Li1 Li2 S1 11_566 . 4_455 124.28(14) ?
Li1 Li2 S2 11_566 . 1_556 138.64(12) ?
Li1 Li2 S2 11_566 . 2_566 85.98(15) ?
Li1 Li2 S3 11_566 . . 41.63(11) ?
Li1 Li2 S3 11_566 . 2_565 92.92(17) ?
Li1 Li2 Li3a 12_556 . 1_556 92.8(2) ?
Li1 Li2 Li3a 12_556 . 2_566 91.4(2) ?
Li1 Li2 Li3a 12_556 . 7_556 99.64(19) ?
Li1 Li2 Li3a 12_556 . 8_566 97.97(18) ?
Li1 Li2 Li3a 12_556 . 11_566 170.55(18) ?
Li1 Li2 Li3a 12_556 . 12_556 47.13(17) ?
Li1 Li2 Li3a 12_556 . 13_566 156.4(2) ?
Li1 Li2 Li3a 12_556 . 14_556 32.70(17) ?
Li1 Li2 Ge1 12_556 . . 62.12(13) ?
Li1 Li2 Ge1 12_556 . 3_555 117.88(13) ?
Li1 Li2 P1 12_556 . 3_555 117.88(13) ?
Li1 Li2 S1 12_556 . 3_555 124.28(14) ?
Li1 Li2 S1 12_556 . 4_455 43.95(10) ?
Li1 Li2 S2 12_556 . 1_556 85.98(15) ?
Li1 Li2 S2 12_556 . 2_566 138.64(12) ?
Li1 Li2 S3 12_556 . . 92.92(17) ?
Li1 Li2 S3 12_556 . 2_565 41.63(11) ?
Li3a Li2 Li3a 1_556 . 2_566 170.8(2) ?
Li3a Li2 Li3a 1_556 . 7_556 14.52(15) ?
Li3a Li2 Li3a 1_556 . 8_566 156.3(2) ?
Li3a Li2 Li3a 1_556 . 11_566 91.4(2) ?
Li3a Li2 Li3a 1_556 . 12_556 85.6(2) ?
Li3a Li2 Li3a 1_556 . 13_566 92.9(2) ?
Li3a Li2 Li3a 1_556 . 14_556 86.4(2) ?
Li3a Li2 Ge1 1_556 . . 94.59(13) ?
Li3a Li2 Ge1 1_556 . 3_555 85.41(13) ?
Li3a Li2 P1 1_556 . 3_555 85.41(13) ?
Li3a Li2 S1 1_556 . 3_555 48.58(16) ?
Li3a Li2 S1 1_556 . 4_455 133.50(16) ?
Li3a Li2 S2 1_556 . 1_556 56.27(14) ?
Li3a Li2 S2 1_556 . 2_566 116.03(17) ?
Li3a Li2 S3 1_556 . . 122.89(17) ?
Li3a Li2 S3 1_556 . 2_565 64.92(15) ?
Li3a Li2 Li3a 2_566 . 7_556 156.3(2) ?
Li3a Li2 Li3a 2_566 . 8_566 14.52(15) ?
Li3a Li2 Li3a 2_566 . 11_566 85.6(2) ?
Li3a Li2 Li3a 2_566 . 12_556 91.4(2) ?
Li3a Li2 Li3a 2_566 . 13_566 86.4(2) ?
Li3a Li2 Li3a 2_566 . 14_556 92.9(2) ?
Li3a Li2 Ge1 2_566 . . 94.59(13) ?
Li3a Li2 Ge1 2_566 . 3_555 85.41(13) ?
Li3a Li2 P1 2_566 . 3_555 85.41(13) ?
Li3a Li2 S1 2_566 . 3_555 133.50(16) ?
Li3a Li2 S1 2_566 . 4_455 48.58(16) ?
Li3a Li2 S2 2_566 . 1_556 116.03(17) ?
Li3a Li2 S2 2_566 . 2_566 56.27(14) ?
Li3a Li2 S3 2_566 . . 64.92(15) ?
Li3a Li2 S3 2_566 . 2_565 122.89(17) ?
Li3a Li2 Li3a 7_556 . 8_566 141.78(19) ?
Li3a Li2 Li3a 7_556 . 11_566 86.4(2) ?
Li3a Li2 Li3a 7_556 . 12_556 81.3(2) ?
Li3a Li2 Li3a 7_556 . 13_566 91.4(2) ?
Li3a Li2 Li3a 7_556 . 14_556 85.6(2) ?
Li3a Li2 Ge1 7_556 . . 109.11(12) ?
Li3a Li2 Ge1 7_556 . 3_555 70.89(12) ?
Li3a Li2 P1 7_556 . 3_555 70.89(12) ?
Li3a Li2 S1 7_556 . 3_555 54.04(13) ?
Li3a Li2 S1 7_556 . 4_455 134.18(14) ?
Li3a Li2 S2 7_556 . 1_556 44.94(12) ?
Li3a Li2 S2 7_556 . 2_566 103.38(17) ?
Li3a Li2 S3 7_556 . . 134.48(13) ?
Li3a Li2 S3 7_556 . 2_565 77.70(14) ?
Li3a Li2 Li3a 8_566 . 11_566 81.3(2) ?
Li3a Li2 Li3a 8_566 . 12_556 86.4(2) ?
Li3a Li2 Li3a 8_566 . 13_566 85.6(2) ?
Li3a Li2 Li3a 8_566 . 14_556 91.4(2) ?
Li3a Li2 Ge1 8_566 . . 109.11(12) ?
Li3a Li2 Ge1 8_566 . 3_555 70.89(12) ?
Li3a Li2 P1 8_566 . 3_555 70.89(12) ?
Li3a Li2 S1 8_566 . 3_555 134.18(14) ?
Li3a Li2 S1 8_566 . 4_455 54.04(13) ?
Li3a Li2 S2 8_566 . 1_556 103.38(17) ?
Li3a Li2 S2 8_566 . 2_566 44.94(12) ?
Li3a Li2 S3 8_566 . . 77.70(14) ?
Li3a Li2 S3 8_566 . 2_565 134.48(13) ?
Li3a Li2 Li3a 11_566 . 12_556 141.78(19) ?
Li3a Li2 Li3a 11_566 . 13_566 14.52(15) ?
Li3a Li2 Li3a 11_566 . 14_556 156.3(2) ?
Li3a Li2 Ge1 11_566 . . 109.11(12) ?
Li3a Li2 Ge1 11_566 . 3_555 70.89(12) ?
Li3a Li2 P1 11_566 . 3_555 70.89(12) ?
Li3a Li2 S1 11_566 . 3_555 54.04(13) ?
Li3a Li2 S1 11_566 . 4_455 134.18(14) ?
Li3a Li2 S2 11_566 . 1_556 103.38(17) ?
Li3a Li2 S2 11_566 . 2_566 44.94(12) ?
Li3a Li2 S3 11_566 . . 77.70(14) ?
Li3a Li2 S3 11_566 . 2_565 134.48(13) ?
Li3a Li2 Li3a 12_556 . 13_566 156.3(2) ?
Li3a Li2 Li3a 12_556 . 14_556 14.52(15) ?
Li3a Li2 Ge1 12_556 . . 109.11(12) ?
Li3a Li2 Ge1 12_556 . 3_555 70.89(12) ?
Li3a Li2 P1 12_556 . 3_555 70.89(12) ?
Li3a Li2 S1 12_556 . 3_555 134.18(14) ?
Li3a Li2 S1 12_556 . 4_455 54.04(13) ?
Li3a Li2 S2 12_556 . 1_556 44.94(12) ?
Li3a Li2 S2 12_556 . 2_566 103.38(17) ?
Li3a Li2 S3 12_556 . . 134.48(13) ?
Li3a Li2 S3 12_556 . 2_565 77.70(14) ?
Li3a Li2 Li3a 13_566 . 14_556 170.8(2) ?
Li3a Li2 Ge1 13_566 . . 94.59(13) ?
Li3a Li2 Ge1 13_566 . 3_555 85.41(13) ?
Li3a Li2 P1 13_566 . 3_555 85.41(13) ?
Li3a Li2 S1 13_566 . 3_555 48.58(16) ?
Li3a Li2 S1 13_566 . 4_455 133.50(16) ?
Li3a Li2 S2 13_566 . 1_556 116.03(17) ?
Li3a Li2 S2 13_566 . 2_566 56.27(14) ?
Li3a Li2 S3 13_566 . . 64.92(15) ?
Li3a Li2 S3 13_566 . 2_565 122.89(17) ?
Li3a Li2 Ge1 14_556 . . 94.59(13) ?
Li3a Li2 Ge1 14_556 . 3_555 85.41(13) ?
Li3a Li2 P1 14_556 . 3_555 85.41(13) ?
Li3a Li2 S1 14_556 . 3_555 133.50(16) ?
Li3a Li2 S1 14_556 . 4_455 48.58(16) ?
Li3a Li2 S2 14_556 . 1_556 56.27(14) ?
Li3a Li2 S2 14_556 . 2_566 116.03(17) ?
Li3a Li2 S3 14_556 . . 122.89(17) ?
Li3a Li2 S3 14_556 . 2_565 64.92(15) ?
Ge1 Li2 Ge1 . . 3_555 180.0(5) ?
Ge1 Li2 P1 . . 3_555 180.0(5) ?
Ge1 Li2 S1 . . 3_555 80.36(8) ?
Ge1 Li2 S1 . . 4_455 80.36(8) ?
Ge1 Li2 S2 . . 1_556 136.68(9) ?
Ge1 Li2 S2 . . 2_566 136.68(9) ?
Ge1 Li2 S3 . . . 41.86(9) ?
Ge1 Li2 S3 . . 2_565 41.86(9) ?
Ge1 Li2 P1 3_555 . 3_555 0.0(5) ?
Ge1 Li2 S1 3_555 . 3_555 99.64(8) ?
Ge1 Li2 S1 3_555 . 4_455 99.64(8) ?
Ge1 Li2 S2 3_555 . 1_556 43.32(9) ?
Ge1 Li2 S2 3_555 . 2_566 43.32(9) ?
Ge1 Li2 S3 3_555 . . 138.14(9) ?
Ge1 Li2 S3 3_555 . 2_565 138.14(9) ?
P1 Li2 S1 3_555 . 3_555 99.64(8) ?
P1 Li2 S1 3_555 . 4_455 99.64(8) ?
P1 Li2 S2 3_555 . 1_556 43.32(9) ?
P1 Li2 S2 3_555 . 2_566 43.32(9) ?
P1 Li2 S3 3_555 . . 138.14(9) ?
P1 Li2 S3 3_555 . 2_565 138.14(9) ?
S1 Li2 S1 3_555 . 4_455 160.72(16) ?
S1 Li2 S2 3_555 . 1_556 97.00(6) ?
S1 Li2 S2 3_555 . 2_566 97.00(6) ?
S1 Li2 S3 3_555 . . 82.83(7) ?
S1 Li2 S3 3_555 . 2_565 82.83(7) ?
S1 Li2 S2 4_455 . 1_556 97.00(6) ?
S1 Li2 S2 4_455 . 2_566 97.00(6) ?
S1 Li2 S3 4_455 . . 82.83(7) ?
S1 Li2 S3 4_455 . 2_565 82.83(7) ?
S2 Li2 S2 1_556 . 2_566 86.63(18) ?
S2 Li2 S3 1_556 . . 178.55(12) ?
S2 Li2 S3 1_556 . 2_565 94.82(14) ?
S2 Li2 S3 2_566 . . 94.82(14) ?
S2 Li2 S3 2_566 . 2_565 178.55(12) ?
S3 Li2 S3 . . 2_565 83.72(17) ?
Li1 Li3a Li1 . . 7_555 165.0(4) ?
Li1 Li3a Li1 . . 15_554 174.0(3) ?
Li1 Li3a Li2 . . 1_554 97.2(2) ?
Li1 Li3a Li2 . . 7_556 68.13(19) ?
Li1 Li3a Li3a . . 7_555 21.2(5) ?
Li1 Li3a P2 . . 3_554 77.4(2) ?
Li1 Li3a S1 . . 3_554 104.5(3) ?
Li1 Li3a S1 . . 6_555 51.40(17) ?
Li1 Li3a S2 . . . 55.02(18) ?
Li1 Li3a S2 . . 7_555 107.9(3) ?
Li1 Li3a S3 . . 2_564 142.0(3) ?
Li1 Li3a Li1 7_555 . 15_554 9.2(2) ?
Li1 Li3a Li2 7_555 . 1_554 93.0(3) ?
Li1 Li3a Li2 7_555 . 7_556 101.1(3) ?
Li1 Li3a Li3a 7_555 . 7_555 148.1(8) ?
Li1 Li3a P2 7_555 . 3_554 91.2(3) ?
Li1 Li3a S1 7_555 . 3_554 70.4(3) ?
Li1 Li3a S1 7_555 . 6_555 113.8(4) ?
Li1 Li3a S2 7_555 . . 139.8(4) ?
Li1 Li3a S2 7_555 . 7_555 68.7(3) ?
Li1 Li3a S3 7_555 . 2_564 52.8(2) ?
Li1 Li3a Li2 15_554 . 1_554 87.6(2) ?
Li1 Li3a Li2 15_554 . 7_556 107.0(2) ?
Li1 Li3a Li3a 15_554 . 7_555 154.3(7) ?
Li1 Li3a P2 15_554 . 3_554 98.8(2) ?
Li1 Li3a S1 15_554 . 3_554 74.30(18) ?
Li1 Li3a S1 15_554 . 6_555 122.9(3) ?
Li1 Li3a S2 15_554 . . 131.0(3) ?
Li1 Li3a S2 15_554 . 7_555 69.57(17) ?
Li1 Li3a S3 15_554 . 2_564 44.06(13) ?
Li2 Li3a Li2 1_554 . 7_556 165.2(2) ?
Li2 Li3a Li3a 1_554 . 7_555 118.1(6) ?
Li2 Li3a P2 1_554 . 3_554 92.6(2) ?
Li2 Li3a S1 1_554 . 3_554 63.3(2) ?
Li2 Li3a S1 1_554 . 6_555 118.8(2) ?
Li2 Li3a S2 1_554 . . 56.39(18) ?
Li2 Li3a S2 1_554 . 7_555 143.5(3) ?
Li2 Li3a S3 1_554 . 2_564 52.99(16) ?
Li2 Li3a Li3a 7_556 . 7_555 47.4(6) ?
Li2 Li3a P2 7_556 . 3_554 82.7(2) ?
Li2 Li3a S1 7_556 . 3_554 117.3(3) ?
Li2 Li3a S1 7_556 . 6_555 50.88(15) ?
Li2 Li3a S2 7_556 . . 112.8(2) ?
Li2 Li3a S2 7_556 . 7_555 48.70(15) ?
Li2 Li3a S3 7_556 . 2_564 140.8(2) ?
Li3a Li3a P2 7_555 . 3_554 81.1(6) ?
Li3a Li3a S1 7_555 . 3_554 115.8(7) ?
Li3a Li3a S1 7_555 . 6_555 46.5(6) ?
Li3a Li3a S2 7_555 . . 70.2(6) ?
Li3a Li3a S2 7_555 . 7_555 87.6(6) ?
Li3a Li3a S3 7_555 . 2_564 153.6(7) ?
P2 Li3a S1 3_554 . 3_554 38.01(13) ?
P2 Li3a S1 3_554 . 6_555 37.43(11) ?
P2 Li3a S2 3_554 . . 113.4(2) ?
P2 Li3a S2 3_554 . 7_555 118.1(3) ?
P2 Li3a S3 3_554 . 2_564 121.5(2) ?
S1 Li3a S1 3_554 . 6_555 75.4(2) ?
S1 Li3a S2 3_554 . . 109.5(3) ?
S1 Li3a S2 3_554 . 7_555 130.9(3) ?
S1 Li3a S3 3_554 . 2_564 83.8(2) ?
S1 Li3a S2 6_555 . . 104.4(2) ?
S1 Li3a S2 6_555 . 7_555 97.6(3) ?
S1 Li3a S3 6_555 . 2_564 158.6(3) ?
S2 Li3a S2 . . 7_555 119.2(3) ?
S2 Li3a S3 . . 2_564 87.1(3) ?
S2 Li3a S3 7_555 . 2_564 92.2(2) ?
Li1 Li4 Li1 . . 2_555 151.3(2) ?
Li1 Li4 Li1 . . 5_545 93.60(19) ?
Li1 Li4 Li1 . . 6_455 93.79(18) ?
Li1 Li4 Li1 . . 9_555 29.5(2) ?
Li1 Li4 Li1 . . 10_445 177.59(15) ?
Li1 Li4 Li1 . . 13_555 88.61(18) ?
Li1 Li4 Li1 . . 14_555 84.34(18) ?
Li1 Li4 P2 . . . 104.35(15) ?
Li1 Li4 S1 . . . 75.75(15) ?
Li1 Li4 S1 . . 2_555 129.18(16) ?
Li1 Li4 S3 . . 7_456 127.40(15) ?
Li1 Li4 S3 . . 8_656 44.96(11) ?
Li1 Li4 Li1 2_555 . 5_545 93.79(18) ?
Li1 Li4 Li1 2_555 . 6_455 93.60(19) ?
Li1 Li4 Li1 2_555 . 9_555 177.59(15) ?
Li1 Li4 Li1 2_555 . 10_445 29.5(2) ?
Li1 Li4 Li1 2_555 . 13_555 84.34(18) ?
Li1 Li4 Li1 2_555 . 14_555 88.61(18) ?
Li1 Li4 P2 2_555 . . 104.35(15) ?
Li1 Li4 S1 2_555 . . 129.18(16) ?
Li1 Li4 S1 2_555 . 2_555 75.75(15) ?
Li1 Li4 S3 2_555 . 7_456 44.96(11) ?
Li1 Li4 S3 2_555 . 8_656 127.40(15) ?
Li1 Li4 Li1 5_545 . 6_455 149.8(3) ?
Li1 Li4 Li1 5_545 . 9_555 83.80(19) ?
Li1 Li4 Li1 5_545 . 10_445 88.42(19) ?
Li1 Li4 Li1 5_545 . 13_555 29.5(2) ?
Li1 Li4 Li1 5_545 . 14_555 177.59(15) ?
Li1 Li4 P2 5_545 . . 74.91(16) ?
Li1 Li4 S1 5_545 . . 102.5(2) ?
Li1 Li4 S1 5_545 . 2_555 51.52(14) ?
Li1 Li4 S3 5_545 . 7_456 137.35(12) ?
Li1 Li4 S3 5_545 . 8_656 50.93(13) ?
Li1 Li4 Li1 6_455 . 9_555 88.42(19) ?
Li1 Li4 Li1 6_455 . 10_445 83.80(19) ?
Li1 Li4 Li1 6_455 . 13_555 177.59(15) ?
Li1 Li4 Li1 6_455 . 14_555 29.5(2) ?
Li1 Li4 P2 6_455 . . 74.91(16) ?
Li1 Li4 S1 6_455 . . 51.52(14) ?
Li1 Li4 S1 6_455 . 2_555 102.5(2) ?
Li1 Li4 S3 6_455 . 7_456 50.93(13) ?
Li1 Li4 S3 6_455 . 8_656 137.35(12) ?
Li1 Li4 Li1 9_555 . 10_445 149.8(3) ?
Li1 Li4 Li1 9_555 . 13_555 93.60(19) ?
Li1 Li4 Li1 9_555 . 14_555 93.79(18) ?
Li1 Li4 P2 9_555 . . 74.91(16) ?
Li1 Li4 S1 9_555 . . 51.52(14) ?
Li1 Li4 S1 9_555 . 2_555 102.5(2) ?
Li1 Li4 S3 9_555 . 7_456 137.35(12) ?
Li1 Li4 S3 9_555 . 8_656 50.93(13) ?
Li1 Li4 Li1 10_445 . 13_555 93.79(18) ?
Li1 Li4 Li1 10_445 . 14_555 93.60(19) ?
Li1 Li4 P2 10_445 . . 74.91(16) ?
Li1 Li4 S1 10_445 . . 102.5(2) ?
Li1 Li4 S1 10_445 . 2_555 51.52(14) ?
Li1 Li4 S3 10_445 . 7_456 50.93(13) ?
Li1 Li4 S3 10_445 . 8_656 137.35(12) ?
Li1 Li4 Li1 13_555 . 14_555 151.3(2) ?
Li1 Li4 P2 13_555 . . 104.35(15) ?
Li1 Li4 S1 13_555 . . 129.18(16) ?
Li1 Li4 S1 13_555 . 2_555 75.75(15) ?
Li1 Li4 S3 13_555 . 7_456 127.40(15) ?
Li1 Li4 S3 13_555 . 8_656 44.96(11) ?
Li1 Li4 P2 14_555 . . 104.35(15) ?
Li1 Li4 S1 14_555 . . 75.75(15) ?
Li1 Li4 S1 14_555 . 2_555 129.18(16) ?
Li1 Li4 S3 14_555 . 7_456 44.96(11) ?
Li1 Li4 S3 14_555 . 8_656 127.40(15) ?
P2 Li4 S1 . . . 38.94(10) ?
P2 Li4 S1 . . 2_555 38.94(10) ?
P2 Li4 S3 . . 7_456 101.66(11) ?
P2 Li4 S3 . . 8_656 101.66(11) ?
S1 Li4 S1 . . 2_555 77.87(19) ?
S1 Li4 S3 . . 7_456 99.05(8) ?
S1 Li4 S3 . . 8_656 99.05(8) ?
S1 Li4 S3 2_555 . 7_456 99.05(8) ?
S1 Li4 S3 2_555 . 8_656 99.05(8) ?
S3 Li4 S3 7_456 . 8_656 156.7(2) ?
Li1 Ge1 Li1 3_555 . 4_455 177.7(2) ?
Li1 Ge1 Li1 3_555 . 15_555 95.01(19) ?
Li1 Ge1 Li1 3_555 . 16_455 84.95(19) ?
Li1 Ge1 Li2 3_555 . . 91.15(14) ?
Li1 Ge1 Li2 3_555 . 3_554 88.85(14) ?
Li1 Ge1 P1 3_555 . . 0 ?
Li1 Ge1 S2 3_555 . 3_555 55.02(14) ?
Li1 Ge1 S2 3_555 . 4_455 123.43(14) ?
Li1 Ge1 S3 3_555 . . 54.29(14) ?
Li1 Ge1 S3 3_555 . 2_565 127.41(14) ?
Li1 Ge1 Li1 4_455 . 15_555 84.95(19) ?
Li1 Ge1 Li1 4_455 . 16_455 95.01(19) ?
Li1 Ge1 Li2 4_455 . . 91.15(14) ?
Li1 Ge1 Li2 4_455 . 3_554 88.85(14) ?
Li1 Ge1 P1 4_455 . . 0 ?
Li1 Ge1 S2 4_455 . 3_555 123.43(14) ?
Li1 Ge1 S2 4_455 . 4_455 55.02(14) ?
Li1 Ge1 S3 4_455 . . 127.41(14) ?
Li1 Ge1 S3 4_455 . 2_565 54.29(14) ?
Li1 Ge1 Li1 15_555 . 16_455 177.7(2) ?
Li1 Ge1 Li2 15_555 . . 91.15(14) ?
Li1 Ge1 Li2 15_555 . 3_554 88.85(14) ?
Li1 Ge1 P1 15_555 . . 0 ?
Li1 Ge1 S2 15_555 . 3_555 55.02(14) ?
Li1 Ge1 S2 15_555 . 4_455 123.43(14) ?
Li1 Ge1 S3 15_555 . . 127.41(14) ?
Li1 Ge1 S3 15_555 . 2_565 54.29(14) ?
Li1 Ge1 Li2 16_455 . . 91.15(14) ?
Li1 Ge1 Li2 16_455 . 3_554 88.85(14) ?
Li1 Ge1 P1 16_455 . . 0 ?
Li1 Ge1 S2 16_455 . 3_555 123.43(14) ?
Li1 Ge1 S2 16_455 . 4_455 55.02(14) ?
Li1 Ge1 S3 16_455 . . 54.29(14) ?
Li1 Ge1 S3 16_455 . 2_565 127.41(14) ?
Li2 Ge1 Li2 . . 3_554 180.0(5) ?
Li2 Ge1 P1 . . . 0 ?
Li2 Ge1 S2 . . 3_555 123.65(8) ?
Li2 Ge1 S2 . . 4_455 123.65(8) ?
Li2 Ge1 S3 . . . 53.88(8) ?
Li2 Ge1 S3 . . 2_565 53.88(8) ?
Li2 Ge1 P1 3_554 . . 0 ?
Li2 Ge1 S2 3_554 . 3_555 56.35(8) ?
Li2 Ge1 S2 3_554 . 4_455 56.35(8) ?
Li2 Ge1 S3 3_554 . . 126.12(8) ?
Li2 Ge1 S3 3_554 . 2_565 126.12(8) ?
P1 Ge1 S2 . . 3_555 0 ?
P1 Ge1 S2 . . 4_455 0 ?
P1 Ge1 S3 . . . 0 ?
P1 Ge1 S3 . . 2_565 0 ?
S2 Ge1 S2 3_555 . 4_455 112.71(14) ?
S2 Ge1 S3 3_555 . . 109.06(6) ?
S2 Ge1 S3 3_555 . 2_565 109.06(6) ?
S2 Ge1 S3 4_455 . . 109.06(6) ?
S2 Ge1 S3 4_455 . 2_565 109.06(6) ?
S3 Ge1 S3 . . 2_565 107.77(14) ?
Li1 P1 Li1 3_555 . 4_455 177.7(2) ?
Li1 P1 Li1 3_555 . 15_555 95.01(19) ?
Li1 P1 Li1 3_555 . 16_455 84.95(19) ?
Li1 P1 Li2 3_555 . 3_554 88.85(14) ?
Li1 P1 Ge1 3_555 . . 0 ?
Li1 P1 S2 3_555 . 3_555 55.02(14) ?
Li1 P1 S2 3_555 . 4_455 123.43(14) ?
Li1 P1 S3 3_555 . . 54.29(14) ?
Li1 P1 S3 3_555 . 2_565 127.41(14) ?
Li1 P1 Li1 4_455 . 15_555 84.95(19) ?
Li1 P1 Li1 4_455 . 16_455 95.01(19) ?
Li1 P1 Li2 4_455 . 3_554 88.85(14) ?
Li1 P1 Ge1 4_455 . . 0 ?
Li1 P1 S2 4_455 . 3_555 123.43(14) ?
Li1 P1 S2 4_455 . 4_455 55.02(14) ?
Li1 P1 S3 4_455 . . 127.41(14) ?
Li1 P1 S3 4_455 . 2_565 54.29(14) ?
Li1 P1 Li1 15_555 . 16_455 177.7(2) ?
Li1 P1 Li2 15_555 . 3_554 88.85(14) ?
Li1 P1 Ge1 15_555 . . 0 ?
Li1 P1 S2 15_555 . 3_555 55.02(14) ?
Li1 P1 S2 15_555 . 4_455 123.43(14) ?
Li1 P1 S3 15_555 . . 127.41(14) ?
Li1 P1 S3 15_555 . 2_565 54.29(14) ?
Li1 P1 Li2 16_455 . 3_554 88.85(14) ?
Li1 P1 Ge1 16_455 . . 0 ?
Li1 P1 S2 16_455 . 3_555 123.43(14) ?
Li1 P1 S2 16_455 . 4_455 55.02(14) ?
Li1 P1 S3 16_455 . . 54.29(14) ?
Li1 P1 S3 16_455 . 2_565 127.41(14) ?
Li2 P1 Ge1 3_554 . . 0 ?
Li2 P1 S2 3_554 . 3_555 56.35(8) ?
Li2 P1 S2 3_554 . 4_455 56.35(8) ?
Li2 P1 S3 3_554 . . 126.12(8) ?
Li2 P1 S3 3_554 . 2_565 126.12(8) ?
Ge1 P1 S2 . . 3_555 0 ?
Ge1 P1 S2 . . 4_455 0 ?
Ge1 P1 S3 . . . 0 ?
Ge1 P1 S3 . . 2_565 0 ?
S2 P1 S2 3_555 . 4_455 112.71(14) ?
S2 P1 S3 3_555 . . 109.06(6) ?
S2 P1 S3 3_555 . 2_565 109.06(6) ?
S2 P1 S3 4_455 . . 109.06(6) ?
S2 P1 S3 4_455 . 2_565 109.06(6) ?
S3 P1 S3 . . 2_565 107.77(14) ?
Li3a P2 Li3a 3_545 . 4_455 163.76(15) ?
Li3a P2 Li3a 3_545 . 5_545 17.72(15) ?
Li3a P2 Li3a 3_545 . 6_455 172.95(19) ?
Li3a P2 Li3a 3_545 . 9_555 91.1(2) ?
Li3a P2 Li3a 3_545 . 10_445 91.1(2) ?
Li3a P2 Li3a 3_545 . 15_555 95.8(2) ?
Li3a P2 Li3a 3_545 . 16_445 81.9(2) ?
Li3a P2 Li4 3_545 . . 81.88(10) ?
Li3a P2 Li4 3_545 . 7_556 98.12(10) ?
Li3a P2 S1 3_545 . . 121.45(14) ?
Li3a P2 S1 3_545 . 2_555 46.68(13) ?
Li3a P2 S1 3_545 . 7_556 63.19(14) ?
Li3a P2 S1 3_545 . 8_556 127.97(14) ?
Li3a P2 Li3a 4_455 . 5_545 172.95(19) ?
Li3a P2 Li3a 4_455 . 6_455 17.72(15) ?
Li3a P2 Li3a 4_455 . 9_555 91.1(2) ?
Li3a P2 Li3a 4_455 . 10_445 91.1(2) ?
Li3a P2 Li3a 4_455 . 15_555 81.9(2) ?
Li3a P2 Li3a 4_455 . 16_445 95.8(2) ?
Li3a P2 Li4 4_455 . . 81.88(10) ?
Li3a P2 Li4 4_455 . 7_556 98.12(10) ?
Li3a P2 S1 4_455 . . 46.68(13) ?
Li3a P2 S1 4_455 . 2_555 121.45(14) ?
Li3a P2 S1 4_455 . 7_556 127.97(14) ?
Li3a P2 S1 4_455 . 8_556 63.19(14) ?
Li3a P2 Li3a 5_545 . 6_455 163.76(15) ?
Li3a P2 Li3a 5_545 . 9_555 81.9(2) ?
Li3a P2 Li3a 5_545 . 10_445 95.8(2) ?
Li3a P2 Li3a 5_545 . 15_555 91.1(2) ?
Li3a P2 Li3a 5_545 . 16_445 91.1(2) ?
Li3a P2 Li4 5_545 . . 98.12(10) ?
Li3a P2 Li4 5_545 . 7_556 81.88(10) ?
Li3a P2 S1 5_545 . . 127.97(14) ?
Li3a P2 S1 5_545 . 2_555 63.19(14) ?
Li3a P2 S1 5_545 . 7_556 46.68(13) ?
Li3a P2 S1 5_545 . 8_556 121.45(14) ?
Li3a P2 Li3a 6_455 . 9_555 95.8(2) ?
Li3a P2 Li3a 6_455 . 10_445 81.9(2) ?
Li3a P2 Li3a 6_455 . 15_555 91.1(2) ?
Li3a P2 Li3a 6_455 . 16_445 91.1(2) ?
Li3a P2 Li4 6_455 . . 98.12(10) ?
Li3a P2 Li4 6_455 . 7_556 81.88(10) ?
Li3a P2 S1 6_455 . . 63.19(14) ?
Li3a P2 S1 6_455 . 2_555 127.97(14) ?
Li3a P2 S1 6_455 . 7_556 121.45(14) ?
Li3a P2 S1 6_455 . 8_556 46.68(13) ?
Li3a P2 Li3a 9_555 . 10_445 163.76(15) ?
Li3a P2 Li3a 9_555 . 15_555 17.72(15) ?
Li3a P2 Li3a 9_555 . 16_445 172.95(19) ?
Li3a P2 Li4 9_555 . . 98.12(10) ?
Li3a P2 Li4 9_555 . 7_556 81.88(10) ?
Li3a P2 S1 9_555 . . 63.19(14) ?
Li3a P2 S1 9_555 . 2_555 127.97(14) ?
Li3a P2 S1 9_555 . 7_556 46.68(13) ?
Li3a P2 S1 9_555 . 8_556 121.45(14) ?
Li3a P2 Li3a 10_445 . 15_555 172.95(19) ?
Li3a P2 Li3a 10_445 . 16_445 17.72(15) ?
Li3a P2 Li4 10_445 . . 98.12(10) ?
Li3a P2 Li4 10_445 . 7_556 81.88(10) ?
Li3a P2 S1 10_445 . . 127.97(14) ?
Li3a P2 S1 10_445 . 2_555 63.19(14) ?
Li3a P2 S1 10_445 . 7_556 121.45(14) ?
Li3a P2 S1 10_445 . 8_556 46.68(13) ?
Li3a P2 Li3a 15_555 . 16_445 163.76(15) ?
Li3a P2 Li4 15_555 . . 81.88(10) ?
Li3a P2 Li4 15_555 . 7_556 98.12(10) ?
Li3a P2 S1 15_555 . . 46.68(13) ?
Li3a P2 S1 15_555 . 2_555 121.45(14) ?
Li3a P2 S1 15_555 . 7_556 63.19(14) ?
Li3a P2 S1 15_555 . 8_556 127.97(14) ?
Li3a P2 Li4 16_445 . . 81.88(10) ?
Li3a P2 Li4 16_445 . 7_556 98.12(10) ?
Li3a P2 S1 16_445 . . 121.45(14) ?
Li3a P2 S1 16_445 . 2_555 46.68(13) ?
Li3a P2 S1 16_445 . 7_556 127.97(14) ?
Li3a P2 S1 16_445 . 8_556 63.19(14) ?
Li4 P2 Li4 . . 7_556 180.0(5) ?
Li4 P2 S1 . . . 54.46(8) ?
Li4 P2 S1 . . 2_555 54.46(8) ?
Li4 P2 S1 . . 7_556 125.54(8) ?
Li4 P2 S1 . . 8_556 125.54(8) ?
Li4 P2 S1 7_556 . . 125.54(8) ?
Li4 P2 S1 7_556 . 2_555 125.54(8) ?
Li4 P2 S1 7_556 . 7_556 54.46(8) ?
Li4 P2 S1 7_556 . 8_556 54.46(8) ?
S1 P2 S1 . . 2_555 108.93(14) ?
S1 P2 S1 . . 7_556 109.74(6) ?
S1 P2 S1 . . 8_556 109.74(6) ?
S1 P2 S1 2_555 . 7_556 109.74(6) ?
S1 P2 S1 2_555 . 8_556 109.74(6) ?
S1 P2 S1 7_556 . 8_556 108.93(14) ?
Li1 S1 Li1 6_455 . 9_555 118.3(3) ?
Li1 S1 Li2 6_455 . 3_554 84.86(13) ?
Li1 S1 Li3a 6_455 . 4_455 47.0(2) ?
Li1 S1 Li3a 6_455 . 6_455 62.3(2) ?
Li1 S1 Li3a 6_455 . 9_555 159.9(2) ?
Li1 S1 Li3a 6_455 . 15_555 149.0(2) ?
Li1 S1 Li4 6_455 . . 74.52(16) ?
Li1 S1 P2 6_455 . . 114.92(14) ?
Li1 S1 Li2 9_555 . 3_554 84.86(13) ?
Li1 S1 Li3a 9_555 . 4_455 149.0(2) ?
Li1 S1 Li3a 9_555 . 6_455 159.9(2) ?
Li1 S1 Li3a 9_555 . 9_555 62.3(2) ?
Li1 S1 Li3a 9_555 . 15_555 47.0(2) ?
Li1 S1 Li4 9_555 . . 74.52(16) ?
Li1 S1 P2 9_555 . . 114.92(14) ?
Li2 S1 Li3a 3_554 . 4_455 68.1(2) ?
Li2 S1 Li3a 3_554 . 6_455 75.09(15) ?
Li2 S1 Li3a 3_554 . 9_555 75.09(15) ?
Li2 S1 Li3a 3_554 . 15_555 68.1(2) ?
Li2 S1 Li4 3_554 . . 138.58(12) ?
Li2 S1 P2 3_554 . . 134.82(13) ?
Li3a S1 Li3a 4_455 . 6_455 17.8(2) ?
Li3a S1 Li3a 4_455 . 9_555 120.9(2) ?
Li3a S1 Li3a 4_455 . 15_555 127.4(3) ?
Li3a S1 Li4 4_455 . . 115.96(17) ?
Li3a S1 P2 4_455 . . 95.31(19) ?
Li3a S1 Li3a 6_455 . 9_555 109.6(2) ?
Li3a S1 Li3a 6_455 . 15_555 120.9(2) ?
Li3a S1 Li4 6_455 . . 122.28(15) ?
Li3a S1 P2 6_455 . . 79.38(15) ?
Li3a S1 Li3a 9_555 . 15_555 17.8(2) ?
Li3a S1 Li4 9_555 . . 122.28(15) ?
Li3a S1 P2 9_555 . . 79.38(15) ?
Li3a S1 Li4 15_555 . . 115.96(17) ?
Li3a S1 P2 15_555 . . 95.31(19) ?
Li4 S1 P2 . . . 86.60(15) ?
Li1 S2 Li1 . . 14_555 125.0(3) ?
Li1 S2 Li2 . . 1_554 113.31(15) ?
Li1 S2 Li3a . . . 66.6(2) ?
Li1 S2 Li3a . . 7_555 45.6(2) ?
Li1 S2 Li3a . . 12_555 158.9(2) ?
Li1 S2 Li3a . . 14_555 161.9(2) ?
Li1 S2 Ge1 . . 3_554 80.35(14) ?
Li1 S2 P1 . . 3_554 80.35(14) ?
Li1 S2 Li2 14_555 . 1_554 113.31(15) ?
Li1 S2 Li3a 14_555 . . 161.9(2) ?
Li1 S2 Li3a 14_555 . 7_555 158.9(2) ?
Li1 S2 Li3a 14_555 . 12_555 45.6(2) ?
Li1 S2 Li3a 14_555 . 14_555 66.6(2) ?
Li1 S2 Ge1 14_555 . 3_554 80.35(14) ?
Li1 S2 P1 14_555 . 3_554 80.35(14) ?
Li2 S2 Li3a 1_554 . . 67.34(17) ?
Li2 S2 Li3a 1_554 . 7_555 86.35(18) ?
Li2 S2 Li3a 1_554 . 12_555 86.35(18) ?
Li2 S2 Li3a 1_554 . 14_555 67.34(17) ?
Li2 S2 Ge1 1_554 . 3_554 80.33(15) ?
Li2 S2 P1 1_554 . 3_554 80.33(15) ?
Li3a S2 Li3a . . 7_555 22.2(2) ?
Li3a S2 Li3a . . 12_555 118.2(2) ?
Li3a S2 Li3a . . 14_555 98.9(3) ?
Li3a S2 Ge1 . . 3_554 116.86(17) ?
Li3a S2 P1 . . 3_554 116.86(17) ?
Li3a S2 Li3a 7_555 . 12_555 133.9(2) ?
Li3a S2 Li3a 7_555 . 14_555 118.2(2) ?
Li3a S2 Ge1 7_555 . 3_554 111.73(18) ?
Li3a S2 P1 7_555 . 3_554 111.73(18) ?
Li3a S2 Li3a 12_555 . 14_555 22.2(2) ?
Li3a S2 Ge1 12_555 . 3_554 111.73(18) ?
Li3a S2 P1 12_555 . 3_554 111.73(18) ?
Li3a S2 Ge1 14_555 . 3_554 116.86(17) ?
Li3a S2 P1 14_555 . 3_554 116.86(17) ?
Ge1 S2 P1 3_554 . 3_554 0.0(5) ?
Li1 S3 Li1 3_555 . 8_566 146.8(2) ?
Li1 S3 Li1 3_555 . 11_566 39.5(2) ?
Li1 S3 Li1 3_555 . 16_455 110.4(3) ?
Li1 S3 Li2 3_555 . . 121.96(15) ?
Li1 S3 Li3a 3_555 . 2_566 156.9(2) ?
Li1 S3 Li3a 3_555 . 13_566 79.8(2) ?
Li1 S3 Li4 3_555 . 7_566 72.63(15) ?
Li1 S3 Ge1 3_555 . . 80.80(16) ?
Li1 S3 P1 3_555 . . 80.80(16) ?
Li1 S3 Li1 8_566 . 11_566 156.7(2) ?
Li1 S3 Li1 8_566 . 16_455 39.5(2) ?
Li1 S3 Li2 8_566 . . 91.11(17) ?
Li1 S3 Li3a 8_566 . 2_566 40.4(2) ?
Li1 S3 Li3a 8_566 . 13_566 123.2(2) ?
Li1 S3 Li4 8_566 . 7_566 82.24(15) ?
Li1 S3 Ge1 8_566 . . 101.64(16) ?
Li1 S3 P1 8_566 . . 101.64(16) ?
Li1 S3 Li1 11_566 . 16_455 146.8(2) ?
Li1 S3 Li2 11_566 . . 91.11(17) ?
Li1 S3 Li3a 11_566 . 2_566 123.2(2) ?
Li1 S3 Li3a 11_566 . 13_566 40.4(2) ?
Li1 S3 Li4 11_566 . 7_566 82.24(15) ?
Li1 S3 Ge1 11_566 . . 101.64(16) ?
Li1 S3 P1 11_566 . . 101.64(16) ?
Li1 S3 Li2 16_455 . . 121.96(15) ?
Li1 S3 Li3a 16_455 . 2_566 79.8(2) ?
Li1 S3 Li3a 16_455 . 13_566 156.9(2) ?
Li1 S3 Li4 16_455 . 7_566 72.63(15) ?
Li1 S3 Ge1 16_455 . . 80.80(16) ?
Li1 S3 P1 16_455 . . 80.80(16) ?
Li2 S3 Li3a . . 2_566 62.09(16) ?
Li2 S3 Li3a . . 13_566 62.09(16) ?
Li2 S3 Li4 . . 7_566 143.52(14) ?
Li2 S3 Ge1 . . . 84.26(15) ?
Li2 S3 P1 . . . 84.26(15) ?
Li3a S3 Li3a 2_566 . 13_566 83.8(2) ?
Li3a S3 Li4 2_566 . 7_566 91.85(16) ?
Li3a S3 Ge1 2_566 . . 121.93(15) ?
Li3a S3 P1 2_566 . . 121.93(15) ?
Li3a S3 Li4 13_566 . 7_566 91.85(16) ?
Li3a S3 Ge1 13_566 . . 121.93(15) ?
Li3a S3 P1 13_566 . . 121.93(15) ?
Li4 S3 Ge1 7_566 . . 132.22(15) ?
Li4 S3 P1 7_566 . . 132.22(15) ?
Ge1 S3 P1 . . . 0.0(5) ?

loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion
_geom_torsion_publ_flag
? ? ? ? ? ? ? ? ? ?

loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_D
_geom_hbond_site_symmetry_H
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
? ? ? ? ? ? ? ? ? ? ?


