# Electronic Supplementary Material (ESI) for Inorganic Chemistry Frontiers.
# This journal is © the Partner Organisations 2023

####################################################################### 
# 
# 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 
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data_ltmo_20220819
_database_code_depnum_ccdc_archive 'CCDC 2250834'
loop_
_audit_author_name
_audit_author_address
'Conggang Li'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2023-03-22 deposited with the CCDC.	2023-05-02 downloaded from the CCDC.
;
_audit_creation_date             2022-08-20
_audit_creation_method           
;
Olex2 1.5
(compiled 2021.11.18 svn.ra9532c28 for OlexSys, GUI svn.r6429)
;
_shelx_SHELXL_version_number     2018/3
_chemical_name_common            ?
_chemical_name_systematic        ?
_chemical_formula_moiety         'Li2 Mo3 O12 Te1'
_chemical_formula_sum            'Li2 Mo3 O12 Te'
_chemical_formula_weight         621.30
_chemical_melting_point          ?
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'
Mo Mo -1.6832 0.6857 '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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_space_group_crystal_system      trigonal
_space_group_IT_number           148
_space_group_name_H-M_alt        'R -3'
_space_group_name_Hall           '-R 3'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-y, x-y, z'
'-x+y, -x, z'
'x+2/3, y+1/3, z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'-x, -y, -z'
'y, -x+y, -z'
'x-y, x, -z'
'-x+2/3, -y+1/3, -z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'-x+1/3, -y+2/3, -z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'x-y+1/3, x+2/3, -z+2/3'

_cell_length_a                   10.4266(9)
_cell_length_b                   10.4266(9)
_cell_length_c                   14.8393(17)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_volume                     1397.1(3)
_cell_formula_units_Z            6
_cell_measurement_reflns_used    1536
_cell_measurement_temperature    273.15
_cell_measurement_theta_max      27.032
_cell_measurement_theta_min      2.640
_shelx_estimated_absorpt_T_max   ?
_shelx_estimated_absorpt_T_min   ?
_exptl_absorpt_coefficient_mu    7.110
_exptl_absorpt_correction_T_max  0.7456
_exptl_absorpt_correction_T_min  0.5813
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.0959 before and 0.0653 after correction.
The Ratio of minimum to maximum transmission is 0.7796.
The λ/2 correction factor is Not present.
;
_exptl_absorpt_special_details   ?
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    4.431
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_description       block
_exptl_crystal_F_000             1680
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_transmission_factor_max   ?
_exptl_transmission_factor_min   ?
_diffrn_reflns_av_R_equivalents  0.0672
_diffrn_reflns_av_unetI/netI     0.0519
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            3760
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.463
_diffrn_reflns_theta_min         2.640
_diffrn_ambient_temperature      273.15
_diffrn_detector_area_resol_mean ?
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   ?
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                558
_reflns_number_total             711
_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;
_reflns_threshold_expression     'I > 2σ(I)'
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_collection       ?
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.5 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2018/3 (Sheldrick, 2015)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_refine_diff_density_max         0.960
_refine_diff_density_min         -1.400
_refine_diff_density_rms         0.281
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.059
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     60
_refine_ls_number_reflns         711
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0591
_refine_ls_R_factor_gt           0.0376
_refine_ls_restrained_S_all      1.059
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0243P)²+27.2670P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0696
_refine_ls_wR_factor_ref         0.0762
_refine_special_details          ?
_olex2_refinement_description    
;
1. Others
 Fixed Sof: Li2(0.5)
;
_atom_sites_solution_hydrogens   .
_atom_sites_solution_primary     dual
_atom_sites_solution_secondary   ?
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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 0.333333 0.666667 0.80239(6) 0.0209(3) Uani 1 3 d S T P . .
Mo1 Mo 0.68624(7) 0.77454(7) 0.66836(4) 0.0162(2) Uani 1 1 d . . . . .
O1 O 0.4712(6) 0.6287(6) 0.7435(4) 0.0189(12) Uani 1 1 d . . . . .
O2 O 0.6711(6) 0.9268(6) 0.7286(3) 0.0179(12) Uani 1 1 d . . . . .
O3 O 0.8102(6) 0.8718(6) 0.5847(4) 0.0260(13) Uani 1 1 d . . . . .
O4 O 0.7827(7) 0.7426(6) 0.7489(4) 0.0292(14) Uani 1 1 d . . . . .
Li1 Li 1.000000 1.000000 0.500000 0.023(7) Uani 1 6 d S T P . .
Li2 Li 0.756(4) 1.094(3) 0.8189(18) 0.029(7) Uani 0.5 1 d . . P . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Te1 O1 1.885(5) 2_665 ?
Te1 O1 1.885(5) 3_565 ?
Te1 O1 1.885(5) . ?
Te1 Li2 3.22(3) 16_666 ?
Te1 Li2 3.22(3) 17_456 ?
Te1 Li2 3.22(3) 18_546 ?
Mo1 O1 2.275(5) . ?
Mo1 O1 2.333(5) 15_556 ?
Mo1 O2 1.895(5) . ?
Mo1 O2 1.923(5) 14_456 ?
Mo1 O3 1.711(5) . ?
Mo1 O4 1.700(6) . ?
Mo1 Li2 2.79(3) 14_456 ?
Mo1 Li2 3.10(3) 9_564 ?
Mo1 Li2 3.23(3) 16_666 ?
O1 Li2 2.15(3) 16_666 ?
O2 Li2 2.02(3) . ?
O3 Li1 2.154(5) . ?
O3 Li2 2.15(3) 14_456 ?
O3 Li2 2.24(3) 9_564 ?
O4 Li2 2.46(3) 16_666 ?
O4 Li2 2.13(3) 2_765 ?
Li1 Li2 3.08(3) 15_656 ?
Li1 Li2 3.08(3) 9_564 ?
Li1 Li2 3.08(3) 14_456 ?
Li1 Li2 3.08(3) 8_764 ?
Li1 Li2 3.08(3) 7_544 ?
Li1 Li2 3.08(3) 13_676 ?
Li2 Li2 3.10(3) 17_456 ?
Li2 Li2 3.10(3) 18_656 ?

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
_geom_angle_publ_flag
O1 Te1 O1 100.3(2) 2_665 3_565 ?
O1 Te1 O1 100.3(2) 2_665 . ?
O1 Te1 O1 100.3(2) 3_565 . ?
O1 Te1 Li2 118.7(6) 3_565 16_666 ?
O1 Te1 Li2 39.8(5) 2_665 17_456 ?
O1 Te1 Li2 39.8(5) . 16_666 ?
O1 Te1 Li2 118.7(6) . 17_456 ?
O1 Te1 Li2 125.3(6) . 18_546 ?
O1 Te1 Li2 125.3(6) 2_665 16_666 ?
O1 Te1 Li2 39.8(5) 3_565 18_546 ?
O1 Te1 Li2 125.3(6) 3_565 17_456 ?
O1 Te1 Li2 118.7(6) 2_665 18_546 ?
Li2 Te1 Li2 115.8(3) 18_546 16_666 ?
Li2 Te1 Li2 115.8(3) 17_456 18_546 ?
Li2 Te1 Li2 115.8(3) 17_456 16_666 ?
O1 Mo1 O1 75.7(3) . 15_556 ?
O1 Mo1 Li2 120.9(7) . 14_456 ?
O1 Mo1 Li2 118.4(6) . 9_564 ?
O1 Mo1 Li2 117.1(6) 15_556 16_666 ?
O1 Mo1 Li2 41.6(6) . 16_666 ?
O1 Mo1 Li2 91.9(6) 15_556 14_456 ?
O1 Mo1 Li2 43.7(6) 15_556 9_564 ?
O2 Mo1 O1 82.0(2) . . ?
O2 Mo1 O1 81.7(2) 14_456 15_556 ?
O2 Mo1 O1 74.7(2) 14_456 . ?
O2 Mo1 O1 73.8(2) . 15_556 ?
O2 Mo1 O2 149.7(3) . 14_456 ?
O2 Mo1 Li2 89.1(6) . 9_564 ?
O2 Mo1 Li2 46.2(6) 14_456 14_456 ?
O2 Mo1 Li2 149.6(6) . 14_456 ?
O2 Mo1 Li2 90.4(6) . 16_666 ?
O2 Mo1 Li2 85.2(6) 14_456 9_564 ?
O2 Mo1 Li2 85.0(6) 14_456 16_666 ?
O3 Mo1 O1 162.1(2) . . ?
O3 Mo1 O1 88.4(2) . 15_556 ?
O3 Mo1 O2 95.2(2) . 14_456 ?
O3 Mo1 O2 101.5(3) . . ?
O3 Mo1 Li2 44.8(6) . 9_564 ?
O3 Mo1 Li2 154.1(6) . 16_666 ?
O3 Mo1 Li2 50.4(6) . 14_456 ?
O4 Mo1 O1 164.5(3) . 15_556 ?
O4 Mo1 O1 90.4(3) . . ?
O4 Mo1 O2 97.9(2) . . ?
O4 Mo1 O2 101.4(3) . 14_456 ?
O4 Mo1 O3 106.3(3) . . ?
O4 Mo1 Li2 101.2(7) . 14_456 ?
O4 Mo1 Li2 151.1(6) . 9_564 ?
O4 Mo1 Li2 48.8(6) . 16_666 ?
Li2 Mo1 Li2 159.8(10) 9_564 16_666 ?
Li2 Mo1 Li2 63.2(6) 14_456 9_564 ?
Li2 Mo1 Li2 119.9(4) 14_456 16_666 ?
Te1 O1 Mo1 133.4(3) . . ?
Te1 O1 Mo1 131.5(3) . 14_456 ?
Te1 O1 Li2 105.9(8) . 16_666 ?
Mo1 O1 Mo1 90.27(19) . 14_456 ?
Li2 O1 Mo1 87.5(8) 16_666 14_456 ?
Li2 O1 Mo1 93.7(9) 16_666 . ?
Mo1 O2 Mo1 117.6(3) . 15_556 ?
Mo1 O2 Li2 148.4(9) . . ?
Mo1 O2 Li2 90.3(9) 15_556 . ?
Mo1 O3 Li1 168.1(4) . . ?
Mo1 O3 Li2 91.9(8) . 14_456 ?
Mo1 O3 Li2 102.6(8) . 9_564 ?
Li1 O3 Li2 88.9(8) . 9_564 ?
Li1 O3 Li2 91.2(8) . 14_456 ?
Li2 O3 Li2 89.7(3) 14_456 9_564 ?
Mo1 O4 Li2 162.9(9) . 2_765 ?
Mo1 O4 Li2 99.9(8) . 16_666 ?
Li2 O4 Li2 84.6(12) 2_765 16_666 ?
O3 Li1 O3 180.0 11_566 2_765 ?
O3 Li1 O3 89.4(2) 10_776 12_656 ?
O3 Li1 O3 89.4(2) 11_566 12_656 ?
O3 Li1 O3 89.4(2) 11_566 10_776 ?
O3 Li1 O3 90.6(2) 2_765 10_776 ?
O3 Li1 O3 90.6(2) 11_566 3_675 ?
O3 Li1 O3 89.4(2) 2_765 . ?
O3 Li1 O3 180.0 10_776 . ?
O3 Li1 O3 90.6(2) 12_656 . ?
O3 Li1 O3 180.0(2) 12_656 3_675 ?
O3 Li1 O3 90.6(2) 11_566 . ?
O3 Li1 O3 90.6(2) 10_776 3_675 ?
O3 Li1 O3 90.6(2) 2_765 12_656 ?
O3 Li1 O3 89.4(2) 2_765 3_675 ?
O3 Li1 O3 89.4(2) 3_675 . ?
O3 Li1 Li2 46.7(6) 2_765 7_544 ?
O3 Li1 Li2 95.4(6) 2_765 8_764 ?
O3 Li1 Li2 44.4(6) 11_566 9_564 ?
O3 Li1 Li2 44.4(6) . 14_456 ?
O3 Li1 Li2 135.6(6) . 8_764 ?
O3 Li1 Li2 95.4(6) 11_566 14_456 ?
O3 Li1 Li2 135.6(6) 2_765 9_564 ?
O3 Li1 Li2 44.4(6) 12_656 7_544 ?
O3 Li1 Li2 135.6(6) 12_656 13_676 ?
O3 Li1 Li2 133.3(6) 12_656 8_764 ?
O3 Li1 Li2 84.6(6) . 13_676 ?
O3 Li1 Li2 84.6(6) 11_566 8_764 ?
O3 Li1 Li2 135.6(6) 10_776 14_456 ?
O3 Li1 Li2 133.3(6) 3_675 14_456 ?
O3 Li1 Li2 133.3(6) 2_765 13_676 ?
O3 Li1 Li2 95.4(6) 12_656 15_656 ?
O3 Li1 Li2 46.7(6) 3_675 8_764 ?
O3 Li1 Li2 84.6(6) 12_656 9_564 ?
O3 Li1 Li2 133.3(6) 11_566 7_544 ?
O3 Li1 Li2 84.6(6) 3_675 15_656 ?
O3 Li1 Li2 84.6(6) 10_776 7_544 ?
O3 Li1 Li2 46.7(6) . 9_564 ?
O3 Li1 Li2 135.6(6) 3_675 7_544 ?
O3 Li1 Li2 46.7(6) 12_656 14_456 ?
O3 Li1 Li2 46.7(5) 11_566 13_676 ?
O3 Li1 Li2 135.6(6) 11_566 15_656 ?
O3 Li1 Li2 95.4(6) 10_776 13_676 ?
O3 Li1 Li2 133.3(6) 10_776 9_564 ?
O3 Li1 Li2 44.4(6) 3_675 13_676 ?
O3 Li1 Li2 84.6(6) 2_765 14_456 ?
O3 Li1 Li2 133.3(6) . 15_656 ?
O3 Li1 Li2 44.4(6) 2_765 15_656 ?
O3 Li1 Li2 95.4(6) . 7_544 ?
O3 Li1 Li2 95.4(6) 3_675 9_564 ?
O3 Li1 Li2 46.7(6) 10_776 15_656 ?
O3 Li1 Li2 44.4(6) 10_776 8_764 ?
Li2 Li1 Li2 60.48(12) 15_656 7_544 ?
Li2 Li1 Li2 119.52(12) 14_456 13_676 ?
Li2 Li1 Li2 180.0 15_656 9_564 ?
Li2 Li1 Li2 119.52(13) 15_656 13_676 ?
Li2 Li1 Li2 60.48(12) 14_456 7_544 ?
Li2 Li1 Li2 60.48(12) 9_564 14_456 ?
Li2 Li1 Li2 119.52(13) 9_564 7_544 ?
Li2 Li1 Li2 60.48(12) 15_656 8_764 ?
Li2 Li1 Li2 119.52(12) 9_564 8_764 ?
Li2 Li1 Li2 119.52(12) 15_656 14_456 ?
Li2 Li1 Li2 60.48(12) 8_764 13_676 ?
Li2 Li1 Li2 180.0(10) 7_544 13_676 ?
Li2 Li1 Li2 180.0 14_456 8_764 ?
Li2 Li1 Li2 119.52(13) 8_764 7_544 ?
Li2 Li1 Li2 60.48(12) 9_564 13_676 ?
Mo1 Li2 Te1 126.9(10) 15_556 16_666 ?
Mo1 Li2 Te1 75.0(7) 5_665 16_666 ?
Mo1 Li2 Mo1 158.0(12) 15_556 5_665 ?
Mo1 Li2 Li1 81.6(8) 15_556 4_455 ?
Mo1 Li2 Li2 63.3(9) 15_556 17_456 ?
Mo1 Li2 Li2 118.3(11) 15_556 18_656 ?
O1 Li2 Te1 34.2(5) 16_666 16_666 ?
O1 Li2 Mo1 151.0(14) 16_666 15_556 ?
O1 Li2 Mo1 48.7(6) 16_666 5_665 ?
O1 Li2 O3 162.2(15) 16_666 15_556 ?
O1 Li2 O3 81.2(10) 16_666 5_665 ?
O1 Li2 O4 76.0(9) 16_666 16_666 ?
O1 Li2 Li1 125.2(11) 16_666 4_455 ?
O1 Li2 Li2 87.7(14) 16_666 18_656 ?
O1 Li2 Li2 117.6(16) 16_666 17_456 ?
O2 Li2 Te1 87.0(10) . 16_666 ?
O2 Li2 Mo1 43.5(6) . 15_556 ?
O2 Li2 Mo1 155.7(14) . 5_665 ?
O2 Li2 O1 107.9(14) . 16_666 ?
O2 Li2 O3 80.1(11) . 15_556 ?
O2 Li2 O3 166.2(17) . 5_665 ?
O2 Li2 O4 85.8(11) . 16_666 ?
O2 Li2 O4 94.1(12) . 3_675 ?
O2 Li2 Li1 124.5(13) . 4_455 ?
O2 Li2 Li2 144.0(17) . 18_656 ?
O2 Li2 Li2 83.8(14) . 17_456 ?
O3 Li2 Te1 105.7(10) 5_665 16_666 ?
O3 Li2 Te1 163.0(12) 15_556 16_666 ?
O3 Li2 Mo1 120.3(12) 15_556 5_665 ?
O3 Li2 Mo1 37.7(5) 15_556 15_556 ?
O3 Li2 Mo1 32.6(4) 5_665 5_665 ?
O3 Li2 Mo1 126.0(13) 5_665 15_556 ?
O3 Li2 O3 88.3(11) 15_556 5_665 ?
O3 Li2 O4 86.4(10) 5_665 16_666 ?
O3 Li2 O4 89.1(11) 15_556 16_666 ?
O3 Li2 Li1 44.4(6) 15_556 4_455 ?
O3 Li2 Li1 44.4(6) 5_665 4_455 ?
O3 Li2 Li2 94.7(7) 15_556 18_656 ?
O3 Li2 Li2 82.7(8) 5_665 17_456 ?
O3 Li2 Li2 44.0(6) 5_665 18_656 ?
O3 Li2 Li2 46.3(5) 15_556 17_456 ?
O4 Li2 Te1 65.3(8) 3_675 16_666 ?
O4 Li2 Te1 101.1(9) 16_666 16_666 ?
O4 Li2 Mo1 93.1(11) 3_675 5_665 ?
O4 Li2 Mo1 81.8(7) 16_666 5_665 ?
O4 Li2 Mo1 94.0(10) 16_666 15_556 ?
O4 Li2 Mo1 95.3(10) 3_675 15_556 ?
O4 Li2 O1 91.2(12) 3_675 16_666 ?
O4 Li2 O3 104.3(12) 3_675 15_556 ?
O4 Li2 O3 96.1(12) 3_675 5_665 ?
O4 Li2 O4 166.4(15) 3_675 16_666 ?
O4 Li2 Li1 92.0(9) 16_666 4_455 ?
O4 Li2 Li1 99.2(11) 3_675 4_455 ?
O4 Li2 Li2 150.5(14) 3_675 17_456 ?
O4 Li2 Li2 130.0(14) 16_666 18_656 ?
O4 Li2 Li2 52.3(11) 3_675 18_656 ?
O4 Li2 Li2 43.1(10) 16_666 17_456 ?
Li1 Li2 Te1 146.8(11) 4_455 16_666 ?
Li1 Li2 Mo1 76.9(7) 4_455 5_665 ?
Li1 Li2 Li2 59.76(6) 4_455 18_656 ?
Li1 Li2 Li2 59.76(6) 4_455 17_456 ?
Li2 Li2 Te1 89.1(11) 18_656 16_666 ?
Li2 Li2 Te1 143.4(12) 17_456 16_666 ?
Li2 Li2 Mo1 53.6(9) 18_656 5_665 ?
Li2 Li2 Mo1 100.9(11) 17_456 5_665 ?
Li2 Li2 Li2 118.1(5) 17_456 18_656 ?

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
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
O1 Te1 O1 Mo1 23.3(5) 2_665 . . . ?
O1 Te1 O1 Mo1 125.76(17) 3_565 . . . ?
O1 Te1 O1 Mo1 -21.9(4) 3_565 . . 14_456 ?
O1 Te1 O1 Mo1 -124.38(15) 2_665 . . 14_456 ?
O1 Te1 O1 Li2 134.5(9) 2_665 . . 16_666 ?
O1 Te1 O1 Li2 -123.0(9) 3_565 . . 16_666 ?
O1 Mo1 O2 Mo1 -94.3(3) . . . 15_556 ?
O1 Mo1 O2 Mo1 -16.9(3) 15_556 . . 15_556 ?
O1 Mo1 O2 Li2 116.2(17) . . . . ?
O1 Mo1 O2 Li2 -166.5(17) 15_556 . . . ?
O1 Mo1 O3 Li1 161.7(16) 15_556 . . . ?
O1 Mo1 O3 Li1 -171.5(11) . . . . ?
O1 Mo1 O3 Li2 -93.8(8) 15_556 . . 14_456 ?
O1 Mo1 O3 Li2 23.2(11) . . . 9_564 ?
O1 Mo1 O3 Li2 -3.7(8) 15_556 . . 9_564 ?
O1 Mo1 O3 Li2 -66.9(11) . . . 14_456 ?
O1 Mo1 O4 Li2 1.6(7) . . . 16_666 ?
O1 Mo1 O4 Li2 131(3) 15_556 . . 2_765 ?
O1 Mo1 O4 Li2 106(3) . . . 2_765 ?
O1 Mo1 O4 Li2 27.2(12) 15_556 . . 16_666 ?
O2 Mo1 O2 Mo1 -54.3(4) 14_456 . . 15_556 ?
O2 Mo1 O2 Li2 156.2(17) 14_456 . . . ?
O2 Mo1 O3 Li1 -116.8(16) 14_456 . . . ?
O2 Mo1 O3 Li1 88.6(16) . . . . ?
O2 Mo1 O3 Li2 -166.9(8) . . . 14_456 ?
O2 Mo1 O3 Li2 -12.3(8) 14_456 . . 14_456 ?
O2 Mo1 O3 Li2 -76.8(8) . . . 9_564 ?
O2 Mo1 O3 Li2 77.8(8) 14_456 . . 9_564 ?
O2 Mo1 O4 Li2 -72.9(7) 14_456 . . 16_666 ?
O2 Mo1 O4 Li2 31(3) 14_456 . . 2_765 ?
O2 Mo1 O4 Li2 -172(3) . . . 2_765 ?
O2 Mo1 O4 Li2 83.6(7) . . . 16_666 ?
O3 Mo1 O2 Mo1 67.9(3) . . . 15_556 ?
O3 Mo1 O2 Li2 -81.6(17) . . . . ?
O3 Mo1 O4 Li2 -171.9(7) . . . 16_666 ?
O3 Mo1 O4 Li2 -68(3) . . . 2_765 ?
O4 Mo1 O2 Mo1 176.5(3) . . . 15_556 ?
O4 Mo1 O2 Li2 26.9(17) . . . . ?
O4 Mo1 O3 Li1 -13.3(17) . . . . ?
O4 Mo1 O3 Li2 -178.7(8) . . . 9_564 ?
O4 Mo1 O3 Li2 91.2(8) . . . 14_456 ?
Li2 Te1 O1 Mo1 -14.5(7) 17_456 . . . ?
Li2 Te1 O1 Mo1 159.8(6) 18_546 . . . ?
Li2 Te1 O1 Mo1 -162.1(6) 17_456 . . 14_456 ?
Li2 Te1 O1 Mo1 -111.2(10) 16_666 . . . ?
Li2 Te1 O1 Mo1 101.1(9) 16_666 . . 14_456 ?
Li2 Te1 O1 Mo1 12.2(7) 18_546 . . 14_456 ?
Li2 Te1 O1 Li2 -88.9(8) 18_546 . . 16_666 ?
Li2 Te1 O1 Li2 96.7(9) 17_456 . . 16_666 ?
Li2 Mo1 O2 Mo1 47.7(13) 14_456 . . 15_556 ?
Li2 Mo1 O2 Mo1 24.6(6) 9_564 . . 15_556 ?
Li2 Mo1 O2 Mo1 -135.1(6) 16_666 . . 15_556 ?
Li2 Mo1 O2 Li2 75(2) 16_666 . . . ?
Li2 Mo1 O2 Li2 -102(3) 14_456 . . . ?
Li2 Mo1 O2 Li2 -124.9(18) 9_564 . . . ?
Li2 Mo1 O3 Li1 -27(2) 16_666 . . . ?
Li2 Mo1 O3 Li1 -104.5(18) 14_456 . . . ?
Li2 Mo1 O3 Li1 165.4(19) 9_564 . . . ?
Li2 Mo1 O3 Li2 -90.1(3) 9_564 . . 14_456 ?
Li2 Mo1 O3 Li2 90.1(3) 14_456 . . 9_564 ?
Li2 Mo1 O3 Li2 167.2(17) 16_666 . . 9_564 ?
Li2 Mo1 O3 Li2 77.1(18) 16_666 . . 14_456 ?
Li2 Mo1 O4 Li2 -173.8(14) 9_564 . . 16_666 ?
Li2 Mo1 O4 Li2 -120.1(3) 14_456 . . 16_666 ?
Li2 Mo1 O4 Li2 -70(3) 9_564 . . 2_765 ?
Li2 Mo1 O4 Li2 -16(4) 14_456 . . 2_765 ?
Li2 Mo1 O4 Li2 104(4) 16_666 . . 2_765 ?

_olex2_submission_special_instructions 'No special instructions were received'
####################################################################### 
# 
# 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_5_a
_database_code_depnum_ccdc_archive 'CCDC 2252198'
loop_
_audit_author_name
_audit_author_address
'Conggang Li'
;Tianjin University of Technology
China
;
_audit_update_record             
;
2023-03-28 deposited with the CCDC.	2023-05-02 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2018/3
_shelx_SHELXL_version_number     2018/3
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_melting_point          ?
_chemical_formula_moiety         ?
_chemical_formula_sum            'Li Mo1.50 O6 Te0.50'
_chemical_formula_weight         310.65

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'
Mo Mo -1.6832 0.6857 '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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      monoclinic
_space_group_IT_number           13
_space_group_name_H-M_alt        'P 2/c'
_space_group_name_Hall           '-P 2yc'

_shelx_space_group_comment       
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;

loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'

_cell_length_a                   4.7761(6)
_cell_length_b                   8.8356(11)
_cell_length_c                   10.2583(16)
_cell_angle_alpha                90
_cell_angle_beta                 90.501(6)
_cell_angle_gamma                90
_cell_volume                     432.88(10)
_cell_formula_units_Z            4
_cell_measurement_temperature    273(2)
_cell_measurement_reflns_used    1706
_cell_measurement_theta_min      2.31
_cell_measurement_theta_max      27.51

_exptl_crystal_description       block
_exptl_crystal_colour            yellow
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    ?
_exptl_crystal_density_diffrn    4.767
_exptl_crystal_F_000             560
_exptl_transmission_factor_min   ?
_exptl_transmission_factor_max   ?
_exptl_crystal_size_max          ?
_exptl_crystal_size_mid          ?
_exptl_crystal_size_min          ?
_exptl_absorpt_coefficient_mu    7.649
_shelx_estimated_absorpt_T_min   ?
_shelx_estimated_absorpt_T_max   ?
_exptl_absorpt_correction_type   ?
_exptl_absorpt_correction_T_min  ?
_exptl_absorpt_correction_T_max  ?
_exptl_absorpt_process_details   ?
_exptl_absorpt_special_details   ?
_diffrn_ambient_temperature      273(2)
_diffrn_radiation_wavelength     0.71073
_diffrn_radiation_type           MoK\a
_diffrn_source                   ?
_diffrn_measurement_device_type  'Bruker Smart APEX CCD area detector'
_diffrn_measurement_method       ?
_diffrn_detector_area_resol_mean ?
_diffrn_reflns_number            2738
_diffrn_reflns_av_unetI/netI     0.0467
_diffrn_reflns_av_R_equivalents  0.0426
_diffrn_reflns_limit_h_min       -6
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_theta_min         2.305
_diffrn_reflns_theta_max         27.536
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 0.979
_diffrn_measured_fraction_theta_full 0.978
_diffrn_reflns_Laue_measured_fraction_max 0.979
_diffrn_reflns_Laue_measured_fraction_full 0.978
_diffrn_reflns_point_group_measured_fraction_max 0.979
_diffrn_reflns_point_group_measured_fraction_full 0.978
_reflns_number_total             989
_reflns_number_gt                873
_reflns_threshold_expression     'I > 2σ(I)'
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_max     .
_reflns_Friedel_fraction_full    .

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
 
 _reflns_Friedel_fraction is defined as the number of unique
 Friedel pairs measured divided by the number that would be
 possible theoretically, ignoring centric projections and
 systematic absences.
;

_computing_data_collection       ?
_computing_cell_refinement       ?
_computing_data_reduction        ?
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_molecular_graphics    ?
_computing_publication_material  ?
_refine_special_details          ?
_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0228P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary   ?
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_extinction_coef       0.0092(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_number_reflns         989
_refine_ls_number_parameters     86
_refine_ls_number_restraints     24
_refine_ls_R_factor_all          0.0316
_refine_ls_R_factor_gt           0.0255
_refine_ls_wR_factor_ref         0.0624
_refine_ls_wR_factor_gt          0.0594
_refine_ls_goodness_of_fit_ref   1.071
_refine_ls_restrained_S_all      1.060
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000

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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Te1 Te 1.000000 0.45535(5) 0.250000 0.01444(17) Uani 1 2 d S T P . .
O1 O 0.2516(8) 0.0083(4) 0.1823(4) 0.0136(8) Uani 1 1 d . . . . .
Mo1 Mo 0.500000 0.12642(6) 0.250000 0.00827(17) Uani 1 2 d S T P . .
Li1 Li 0.000000 -0.1613(14) 0.250000 0.019(3) Uani 1 2 d S TU P . .
Mo2 Mo 0.52392(8) 0.31328(4) 0.52633(4) 0.00699(15) Uani 1 1 d . . . . .
O2 O 0.3166(7) 0.1838(3) 0.4092(4) 0.0111(8) Uani 1 1 d . . . . .
Li2 Li 0.000000 0.000000 0.000000 0.035(4) Uani 1 2 d S U P . .
O4 O 0.2895(8) 0.3067(4) 0.6506(4) 0.0148(8) Uani 1 1 d . U . . .
O3 O 0.7478(7) 0.3214(4) 0.3314(4) 0.0130(8) Uani 1 1 d . . . . .
O6 O 0.7111(10) 0.5037(4) 0.5699(4) 0.0298(11) Uani 1 1 d . . . . .
O5 O 0.7810(8) 0.1875(3) 0.5772(4) 0.0147(8) Uani 1 1 d . U . . .


_geom_special_details            
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;

loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Te1 O3 1.888(3) 2_755 ?
Te1 O3 1.888(3) . ?
Te1 O6 2.324(5) 3_766 ?
Te1 O6 2.324(5) 4_565 ?
Te1 Li1 3.387(12) 1_665 ?
O1 Mo1 1.722(3) . ?
O1 Li1 2.046(10) . ?
O1 Li2 2.215(3) . ?
Mo1 O2 1.928(4) . ?
Mo1 O2 1.928(4) 2_655 ?
Mo1 O3 2.247(3) 2_655 ?
Mo1 O3 2.247(3) . ?
Li1 O5 2.063(4) 4_455 ?
Li1 O5 2.063(4) 3_656 ?
Li1 O4 2.151(8) 3_556 ?
Li1 O4 2.151(8) 4 ?
Li1 Li2 2.934(6) 2 ?
Li1 Li2 2.934(6) . ?
Mo2 O4 1.705(4) . ?
Mo2 O5 1.733(3) . ?
Mo2 O2 1.926(3) . ?
Mo2 O6 1.955(4) . ?
Mo2 O6 2.198(4) 3_666 ?
Mo2 O3 2.277(4) . ?
O2 Li2 2.412(4) 2 ?
Li2 O5 2.116(3) 4_455 ?
Li2 O5 2.116(3) 2_655 ?

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
_geom_angle_publ_flag
O3 Te1 O3 102.4(2) 2_755 . ?
O3 Te1 O6 94.15(14) 2_755 3_766 ?
O3 Te1 O6 97.04(14) . 3_766 ?
O3 Te1 O6 97.04(14) 2_755 4_565 ?
O3 Te1 O6 94.15(14) . 4_565 ?
O6 Te1 O6 162.11(16) 3_766 4_565 ?
O3 Te1 Li1 128.81(11) 2_755 1_665 ?
O3 Te1 Li1 128.81(11) . 1_665 ?
O6 Te1 Li1 81.05(8) 3_766 1_665 ?
O6 Te1 Li1 81.05(8) 4_565 1_665 ?
Mo1 O1 Li1 135.4(2) . . ?
Mo1 O1 Li2 136.68(19) . . ?
Li1 O1 Li2 86.93(12) . . ?
O1 Mo1 O1 105.4(2) 2_655 . ?
O1 Mo1 O2 97.71(16) 2_655 . ?
O1 Mo1 O2 100.65(16) . . ?
O1 Mo1 O2 100.65(16) 2_655 2_655 ?
O1 Mo1 O2 97.71(16) . 2_655 ?
O2 Mo1 O2 149.49(19) . 2_655 ?
O1 Mo1 O3 166.78(15) 2_655 2_655 ?
O1 Mo1 O3 87.48(14) . 2_655 ?
O2 Mo1 O3 82.60(13) . 2_655 ?
O2 Mo1 O3 74.06(14) 2_655 2_655 ?
O1 Mo1 O3 87.48(14) 2_655 . ?
O1 Mo1 O3 166.78(15) . . ?
O2 Mo1 O3 74.06(14) . . ?
O2 Mo1 O3 82.60(14) 2_655 . ?
O3 Mo1 O3 79.88(17) 2_655 . ?
O1 Li1 O1 85.8(5) . 2 ?
O1 Li1 O5 94.9(3) . 4_455 ?
O1 Li1 O5 94.5(3) 2 4_455 ?
O1 Li1 O5 94.5(3) . 3_656 ?
O1 Li1 O5 94.9(3) 2 3_656 ?
O5 Li1 O5 167.1(7) 4_455 3_656 ?
O1 Li1 O4 168.6(5) . 3_556 ?
O1 Li1 O4 83.95(14) 2 3_556 ?
O5 Li1 O4 91.0(3) 4_455 3_556 ?
O5 Li1 O4 81.3(2) 3_656 3_556 ?
O1 Li1 O4 83.95(14) . 4 ?
O1 Li1 O4 168.6(5) 2 4 ?
O5 Li1 O4 81.3(2) 4_455 4 ?
O5 Li1 O4 91.0(3) 3_656 4 ?
O4 Li1 O4 106.7(6) 3_556 4 ?
O1 Li1 Li2 86.9(3) . 2 ?
O1 Li1 Li2 48.93(16) 2 2 ?
O5 Li1 Li2 143.3(4) 4_455 2 ?
O5 Li1 Li2 46.16(15) 3_656 2 ?
O4 Li1 Li2 82.58(10) 3_556 2 ?
O4 Li1 Li2 135.19(11) 4 2 ?
O1 Li1 Li2 48.93(16) . . ?
O1 Li1 Li2 86.9(3) 2 . ?
O5 Li1 Li2 46.16(15) 4_455 . ?
O5 Li1 Li2 143.3(3) 3_656 . ?
O4 Li1 Li2 135.19(11) 3_556 . ?
O4 Li1 Li2 82.58(10) 4 . ?
Li2 Li1 Li2 121.9(4) 2 . ?
O1 Li1 Te1 137.1(3) . 1_445 ?
O1 Li1 Te1 137.1(3) 2 1_445 ?
O5 Li1 Te1 83.6(3) 4_455 1_445 ?
O5 Li1 Te1 83.6(3) 3_656 1_445 ?
O4 Li1 Te1 53.3(3) 3_556 1_445 ?
O4 Li1 Te1 53.3(3) 4 1_445 ?
Li2 Li1 Te1 119.1(2) 2 1_445 ?
Li2 Li1 Te1 119.1(2) . 1_445 ?
O4 Mo2 O5 102.78(17) . . ?
O4 Mo2 O2 96.25(16) . . ?
O5 Mo2 O2 99.54(15) . . ?
O4 Mo2 O6 99.22(17) . . ?
O5 Mo2 O6 99.31(16) . . ?
O2 Mo2 O6 152.24(16) . . ?
O4 Mo2 O6 91.41(16) . 3_666 ?
O5 Mo2 O6 164.75(18) . 3_666 ?
O2 Mo2 O6 84.20(15) . 3_666 ?
O6 Mo2 O6 72.6(2) . 3_666 ?
O4 Mo2 O3 166.96(14) . . ?
O5 Mo2 O3 87.00(16) . . ?
O2 Mo2 O3 73.37(15) . . ?
O6 Mo2 O3 87.49(15) . . ?
O6 Mo2 O3 79.88(15) 3_666 . ?
Mo1 O2 Mo2 116.73(18) . . ?
Mo1 O2 Li2 116.16(14) . 2 ?
Mo2 O2 Li2 118.66(18) . 2 ?
O5 Li2 O5 180.0(2) 4_455 2_655 ?
O5 Li2 O1 88.65(13) 4_455 . ?
O5 Li2 O1 91.35(13) 2_655 . ?
O5 Li2 O1 91.35(13) 4_455 3 ?
O5 Li2 O1 88.65(13) 2_655 3 ?
O1 Li2 O1 180.0 . 3 ?
O5 Li2 O2 86.04(13) 4_455 4 ?
O5 Li2 O2 93.96(13) 2_655 4 ?
O1 Li2 O2 90.62(12) . 4 ?
O1 Li2 O2 89.38(12) 3 4 ?
O5 Li2 O2 93.96(13) 4_455 2 ?
O5 Li2 O2 86.04(13) 2_655 2 ?
O1 Li2 O2 89.38(12) . 2 ?
O1 Li2 O2 90.62(12) 3 2 ?
O2 Li2 O2 180.0(2) 4 2 ?
O5 Li2 Li1 44.69(18) 4_455 . ?
O5 Li2 Li1 135.31(18) 2_655 . ?
O1 Li2 Li1 44.14(16) . . ?
O1 Li2 Li1 135.85(16) 3 . ?
O2 Li2 Li1 90.87(18) 4 . ?
O2 Li2 Li1 89.13(18) 2 . ?
O5 Li2 Li1 135.32(18) 4_455 3 ?
O5 Li2 Li1 44.68(18) 2_655 3 ?
O1 Li2 Li1 135.85(16) . 3 ?
O1 Li2 Li1 44.15(16) 3 3 ?
O2 Li2 Li1 89.13(18) 4 3 ?
O2 Li2 Li1 90.87(18) 2 3 ?
Li1 Li2 Li1 180.0 . 3 ?
Mo2 O4 Li1 143.5(3) . 3_556 ?
Te1 O3 Mo1 130.71(19) . . ?
Te1 O3 Mo2 135.58(18) . . ?
Mo1 O3 Mo2 92.99(13) . . ?
Mo2 O6 Mo2 107.4(2) . 3_666 ?
Mo2 O6 Te1 125.63(18) . 3_766 ?
Mo2 O6 Te1 122.68(17) 3_666 3_766 ?
Mo2 O5 Li1 133.1(3) . 3_656 ?
Mo2 O5 Li2 137.8(2) . 2_655 ?
Li1 O5 Li2 89.2(3) 3_656 2_655 ?

_refine_diff_density_max         1.269
_refine_diff_density_min         -0.948
_refine_diff_density_rms         0.246

