# Electronic Supplementary Material (ESI) for Chemical Science.
# 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. 
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data_JMTR-03
_database_code_depnum_ccdc_archive 'CCDC 2026514'
loop_
_audit_author_name
_audit_author_address
'Wilhelm Klein'
;Technische Universitaet Muenchen
Germany
;
_audit_update_record             
;
2020-08-31 deposited with the CCDC.	2020-11-26 downloaded from the CCDC.
;

_audit_creation_method           SHELXL-2014/7
_shelx_SHELXL_version_number     2014/7
_chemical_name_systematic        ?
_chemical_name_common            ?
_chemical_formula_moiety         'In1 P2, 3(Li)'
_chemical_formula_sum            'In Li3 P2'
_chemical_formula_weight         197.59

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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
In In -0.7276 1.3100 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'

_space_group_crystal_system      tetragonal
_space_group_IT_number           142
_space_group_name_H-M_alt        'I 41/a c d'
_space_group_name_Hall           '-I 4bd 2c'

_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+1/2, -y, z+1/2'
'-y+1/4, x+3/4, z+1/4'
'y+1/4, -x+1/4, z+3/4'
'-x+1/2, y, -z'
'x, -y, -z+1/2'
'y+1/4, x+3/4, -z+3/4'
'-y+1/4, -x+1/4, -z+1/4'
'x+1/2, y+1/2, z+1/2'
'-x+1, -y+1/2, z+1'
'-y+3/4, x+5/4, z+3/4'
'y+3/4, -x+3/4, z+5/4'
'-x+1, y+1/2, -z+1/2'
'x+1/2, -y+1/2, -z+1'
'y+3/4, x+5/4, -z+5/4'
'-y+3/4, -x+3/4, -z+3/4'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'y-1/4, -x-3/4, -z-1/4'
'-y-1/4, x-1/4, -z-3/4'
'x-1/2, -y, z'
'-x, y, z-1/2'
'-y-1/4, -x-3/4, z-3/4'
'y-1/4, x-1/4, z-1/4'
'-x+1/2, -y+1/2, -z+1/2'
'x, y+1/2, -z'
'y+1/4, -x-1/4, -z+1/4'
'-y+1/4, x+1/4, -z-1/4'
'x, -y+1/2, z+1/2'
'-x+1/2, y+1/2, z'
'-y+1/4, -x-1/4, z-1/4'
'y+1/4, x+1/4, z+1/4'

_cell_length_a                   12.0065(3)
_cell_length_b                   12.0065(3)
_cell_length_c                   23.9165(7)
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_volume                     3447.7(2)
_cell_formula_units_Z            32
_cell_measurement_temperature    150(2)
_cell_measurement_reflns_used    67179
_cell_measurement_theta_min      2.94
_cell_measurement_theta_max      42.885

_exptl_crystal_description       block
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    3.045
_exptl_crystal_F_000             2816
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.05
_exptl_absorpt_coefficient_mu    5.993
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_correction_T_min  0.749
_exptl_absorpt_correction_T_max  1.0
_exptl_absorpt_process_details   'STOE X-AREA 1.76'

_diffrn_ambient_temperature      150(2)
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_source                   'Genix 3D HF Mo'
_diffrn_source_voltage           50
_diffrn_source_current           1.000
_diffrn_source_power             0.050
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       'ω scans'
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
_diffrn_reflns_number            39481
_diffrn_reflns_av_unetI/netI     0.0099
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_limit_l_max       36
_diffrn_reflns_theta_min         2.943
_diffrn_reflns_theta_max         34.995
_diffrn_reflns_theta_full        25.242
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measured_fraction_theta_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_point_group_measured_fraction_full 1.000
_reflns_number_total             1905
_reflns_number_gt                1577
_reflns_threshold_expression     'I > 2σ(I)'

_reflns_special_details          
;
 Reflections were merged by SHELXL according to the crystal
 class for the calculation of statistics and refinement.
;

_computing_data_collection       'STOE X-AREA 1.76'
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_structure_solution    SHELXS-86
_computing_structure_refinement  SHELXL-2014/7
_computing_molecular_graphics    'DIAMOND 3.2k'

_refine_ls_structure_factor_coef Fsqd
_refine_ls_matrix_type           full
_refine_ls_weighting_scheme      calc
_refine_ls_weighting_details     
'w=1/[σ²(Fo²)+(0.0185P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_atom_sites_solution_hydrogens   .
_refine_ls_hydrogen_treatment    undef
_refine_ls_extinction_method     none
_refine_ls_extinction_coef       .
_refine_ls_number_reflns         1905
_refine_ls_number_parameters     56
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0143
_refine_ls_wR_factor_ref         0.0316
_refine_ls_wR_factor_gt          0.0302
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_restrained_S_all      1.023
_refine_ls_shift/su_max          0.003
_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
In1 In 0.11730(2) 0.12523(2) 0.31365(2) 0.00578(3) Uani 1 1 d . . . . .
P1 P 0.0000 0.2500 0.00065(2) 0.00610(8) Uani 1 2 d S T P . .
P2 P 0.23884(3) 0.0000 0.2500 0.00597(8) Uani 1 2 d S T P . .
P3 P 0.25031(2) 0.25604(2) 0.12516(2) 0.00613(6) Uani 1 1 d . . . . .
Li1 Li 0.12792(17) 0.37198(19) 0.06150(11) 0.0143(5) Uani 1 1 d . . . . .
Li2 Li 0.11787(17) 0.12499(19) 0.06509(12) 0.0118(5) Uani 1 1 d . . . . .
Li3 Li 0.3635(2) 0.12116(17) 0.19053(9) 0.0111(4) Uani 1 1 d . . . . .


_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
In1 P1 2.5676(3) 15_444 ?
In1 P3 2.5704(3) 3_545 ?
In1 P3 2.5885(3) 25 ?
In1 P2 2.5898(2) . ?
In1 Li3 3.041(2) 3_545 ?
In1 Li3 3.050(3) 18_556 ?
In1 Li3 3.055(2) 25 ?
In1 Li2 3.082(3) 8 ?
In1 Li2 3.092(2) 3_545 ?
In1 Li1 3.131(2) 23_666 ?
P1 In1 2.5677(3) 15_444 ?
P1 In1 2.5677(3) 8 ?
P1 Li1 2.573(2) . ?
P1 Li1 2.573(2) 10_454 ?
P1 Li2 2.575(2) . ?
P1 Li2 2.575(2) 10_454 ?
P1 Li3 2.674(2) 24 ?
P1 Li3 2.674(2) 31_565 ?
P2 Li3 2.525(3) . ?
P2 Li3 2.525(3) 6 ?
P2 In1 2.5898(3) 6 ?
P2 Li2 2.609(2) 3_545 ?
P2 Li2 2.609(2) 8 ?
P2 Li1 2.665(2) 23_666 ?
P2 Li1 2.665(2) 20_656 ?
P3 Li1 2.533(2) . ?
P3 Li2 2.553(2) 8 ?
P3 In1 2.5704(3) 4_554 ?
P3 In1 2.5885(3) 25 ?
P3 Li1 2.610(2) 15_444 ?
P3 Li3 2.6292(19) . ?
P3 Li3 2.651(2) 27_565 ?
P3 Li2 2.659(2) . ?
Li1 P3 2.610(2) 15_444 ?
Li1 P2 2.665(2) 27_565 ?
Li1 Li3 2.898(4) 31_565 ?
Li1 Li3 2.926(3) 27_565 ?
Li1 Li2 2.953(3) 10_454 ?
Li1 Li2 2.969(3) . ?
Li1 Li1 3.039(5) 15_444 ?
Li1 In1 3.131(2) 31_565 ?
Li2 P3 2.553(2) 8 ?
Li2 P2 2.609(2) 4_554 ?
Li2 Li2 2.868(6) 8 ?
Li2 Li3 2.869(4) 8 ?
Li2 Li1 2.953(3) 10_454 ?
Li2 In1 3.081(3) 8 ?
Li2 In1 3.091(2) 4_554 ?
Li3 P3 2.651(2) 20_656 ?
Li3 P1 2.674(2) 23_666 ?
Li3 Li2 2.869(4) 8 ?
Li3 Li1 2.898(4) 23_666 ?
Li3 Li1 2.926(3) 20_656 ?
Li3 In1 3.041(2) 4_554 ?
Li3 In1 3.050(3) 18_656 ?
Li3 In1 3.055(2) 25 ?

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
P1 In1 P3 111.542(7) 15_444 3_545 ?
P1 In1 P3 110.740(7) 15_444 25 ?
P3 In1 P3 110.580(6) 3_545 25 ?
P1 In1 P2 107.203(9) 15_444 . ?
P3 In1 P2 108.804(8) 3_545 . ?
P3 In1 P2 107.820(10) 25 . ?
P1 In1 Li3 130.52(5) 15_444 3_545 ?
P3 In1 Li3 55.11(4) 3_545 3_545 ?
P3 In1 Li3 55.49(4) 25 3_545 ?
P2 In1 Li3 122.27(5) . 3_545 ?
P1 In1 Li3 56.05(4) 15_444 18_556 ?
P3 In1 Li3 55.50(4) 3_545 18_556 ?
P3 In1 Li3 129.86(4) 25 18_556 ?
P2 In1 Li3 122.31(4) . 18_556 ?
Li3 In1 Li3 94.44(5) 3_545 18_556 ?
P1 In1 Li3 55.97(4) 15_444 25 ?
P3 In1 Li3 130.07(5) 3_545 25 ?
P3 In1 Li3 54.78(4) 25 25 ?
P2 In1 Li3 121.12(5) . 25 ?
Li3 In1 Li3 94.33(7) 3_545 25 ?
Li3 In1 Li3 95.19(7) 18_556 25 ?
P1 In1 Li2 53.30(4) 15_444 8 ?
P3 In1 Li2 127.22(4) 3_545 8 ?
P3 In1 Li2 122.12(4) 25 8 ?
P2 In1 Li2 53.94(4) . 8 ?
Li3 In1 Li2 175.53(6) 3_545 8 ?
Li3 In1 Li2 89.87(6) 18_556 8 ?
Li3 In1 Li2 86.46(6) 25 8 ?
P1 In1 Li2 127.32(5) 15_444 3_545 ?
P3 In1 Li2 55.09(5) 3_545 3_545 ?
P3 In1 Li2 121.72(5) 25 3_545 ?
P2 In1 Li2 53.81(5) . 3_545 ?
Li3 In1 Li2 86.62(7) 3_545 3_545 ?
Li3 In1 Li2 90.82(6) 18_556 3_545 ?
Li3 In1 Li2 173.83(7) 25 3_545 ?
Li2 In1 Li2 92.13(6) 8 3_545 ?
P1 In1 Li1 123.07(4) 15_444 23_666 ?
P3 In1 Li1 125.34(4) 3_545 23_666 ?
P3 In1 Li1 53.27(5) 25 23_666 ?
P2 In1 Li1 54.55(5) . 23_666 ?
Li3 In1 Li1 88.30(6) 3_545 23_666 ?
Li3 In1 Li1 176.76(7) 18_556 23_666 ?
Li3 In1 Li1 86.33(6) 25 23_666 ?
Li2 In1 Li1 87.36(7) 8 23_666 ?
Li2 In1 Li1 87.61(6) 3_545 23_666 ?
In1 P1 In1 106.412(15) 15_444 8 ?
In1 P1 Li1 112.01(5) 15_444 . ?
In1 P1 Li1 107.62(5) 8 . ?
In1 P1 Li1 107.62(5) 15_444 10_454 ?
In1 P1 Li1 112.01(5) 8 10_454 ?
Li1 P1 Li1 111.12(12) . 10_454 ?
In1 P1 Li2 177.24(5) 15_444 . ?
In1 P1 Li2 73.62(6) 8 . ?
Li1 P1 Li2 70.44(6) . . ?
Li1 P1 Li2 69.99(6) 10_454 . ?
In1 P1 Li2 73.63(6) 15_444 10_454 ?
In1 P1 Li2 177.24(5) 8 10_454 ?
Li1 P1 Li2 69.99(6) . 10_454 ?
Li1 P1 Li2 70.44(6) 10_454 10_454 ?
Li2 P1 Li2 106.48(12) . 10_454 ?
In1 P1 Li3 71.13(5) 15_444 24 ?
In1 P1 Li3 71.28(4) 8 24 ?
Li1 P1 Li3 176.84(8) . 24 ?
Li1 P1 Li3 67.04(8) 10_454 24 ?
Li2 P1 Li3 106.41(8) . 24 ?
Li2 P1 Li3 111.18(6) 10_454 24 ?
In1 P1 Li3 71.28(4) 15_444 31_565 ?
In1 P1 Li3 71.13(5) 8 31_565 ?
Li1 P1 Li3 67.04(8) . 31_565 ?
Li1 P1 Li3 176.84(8) 10_454 31_565 ?
Li2 P1 Li3 111.18(6) . 31_565 ?
Li2 P1 Li3 106.41(8) 10_454 31_565 ?
Li3 P1 Li3 114.93(11) 24 31_565 ?
Li3 P2 Li3 107.34(9) . 6 ?
Li3 P2 In1 109.30(5) . . ?
Li3 P2 In1 109.71(5) 6 . ?
Li3 P2 In1 109.71(5) . 6 ?
Li3 P2 In1 109.30(5) 6 6 ?
In1 P2 In1 111.409(15) . 6 ?
Li3 P2 Li2 175.26(7) . 3_545 ?
Li3 P2 Li2 67.92(8) 6 3_545 ?
In1 P2 Li2 72.97(5) . 3_545 ?
In1 P2 Li2 72.70(6) 6 3_545 ?
Li3 P2 Li2 67.92(8) . 8 ?
Li3 P2 Li2 175.26(7) 6 8 ?
In1 P2 Li2 72.70(6) . 8 ?
In1 P2 Li2 72.97(5) 6 8 ?
Li2 P2 Li2 116.82(10) 3_545 8 ?
Li3 P2 Li1 67.83(7) . 23_666 ?
Li3 P2 Li1 68.56(6) 6 23_666 ?
In1 P2 Li1 73.12(5) . 23_666 ?
In1 P2 Li1 175.47(5) 6 23_666 ?
Li2 P2 Li1 109.48(6) 3_545 23_666 ?
Li2 P2 Li1 108.86(5) 8 23_666 ?
Li3 P2 Li1 68.56(6) . 20_656 ?
Li3 P2 Li1 67.82(7) 6 20_656 ?
In1 P2 Li1 175.47(5) . 20_656 ?
In1 P2 Li1 73.12(5) 6 20_656 ?
Li2 P2 Li1 108.86(5) 3_545 20_656 ?
Li2 P2 Li1 109.48(6) 8 20_656 ?
Li1 P2 Li1 102.35(10) 23_666 20_656 ?
Li1 P3 Li2 108.35(7) . 8 ?
Li1 P3 In1 108.13(6) . 4_554 ?
Li2 P3 In1 109.17(5) 8 4_554 ?
Li1 P3 In1 113.17(5) . 25 ?
Li2 P3 In1 111.49(6) 8 25 ?
In1 P3 In1 106.417(11) 4_554 25 ?
Li1 P3 Li1 72.44(10) . 15_444 ?
Li2 P3 Li1 69.75(7) 8 15_444 ?
In1 P3 Li1 178.92(5) 4_554 15_444 ?
In1 P3 Li1 74.07(5) 25 15_444 ?
Li1 P3 Li3 174.72(9) . . ?
Li2 P3 Li3 67.22(8) 8 . ?
In1 P3 Li3 71.58(5) 4_554 . ?
In1 P3 Li3 71.68(5) 25 . ?
Li1 P3 Li3 107.78(7) 15_444 . ?
Li1 P3 Li3 68.69(7) . 27_565 ?
Li2 P3 Li3 176.91(8) 8 27_565 ?
In1 P3 Li3 71.46(6) 4_554 27_565 ?
In1 P3 Li3 70.94(4) 25 27_565 ?
Li1 P3 Li3 109.62(7) 15_444 27_565 ?
Li3 P3 Li3 115.70(11) . 27_565 ?
Li1 P3 Li2 69.72(7) . . ?
Li2 P3 Li2 66.74(10) 8 . ?
In1 P3 Li2 72.46(5) 4_554 . ?
In1 P3 Li2 177.10(5) 25 . ?
Li1 P3 Li2 107.00(7) 15_444 . ?
Li3 P3 Li2 105.42(7) . . ?
Li3 P3 Li2 110.91(6) 27_565 . ?
P3 Li1 P1 111.93(8) . . ?
P3 Li1 P3 107.51(10) . 15_444 ?
P1 Li1 P3 109.25(7) . 15_444 ?
P3 Li1 P2 110.93(7) . 27_565 ?
P1 Li1 P2 111.90(10) . 27_565 ?
P3 Li1 P2 104.98(8) 15_444 27_565 ?
P3 Li1 Li3 129.12(10) . 31_565 ?
P1 Li1 Li3 58.14(8) . 31_565 ?
P3 Li1 Li3 123.09(10) 15_444 31_565 ?
P2 Li1 Li3 53.79(8) 27_565 31_565 ?
P3 Li1 Li3 57.57(7) . 27_565 ?
P1 Li1 Li3 128.34(11) . 27_565 ?
P3 Li1 Li3 122.27(10) 15_444 27_565 ?
P2 Li1 Li3 53.45(7) 27_565 27_565 ?
Li3 Li1 Li3 88.63(9) 31_565 27_565 ?
P3 Li1 Li2 124.69(11) . 10_454 ?
P1 Li1 Li2 55.03(6) . 10_454 ?
P3 Li1 Li2 54.23(7) 15_444 10_454 ?
P2 Li1 Li2 123.92(11) 27_565 10_454 ?
Li3 Li1 Li2 91.84(10) 31_565 10_454 ?
Li3 Li1 Li2 175.81(14) 27_565 10_454 ?
P3 Li1 Li2 57.13(7) . . ?
P1 Li1 Li2 54.81(6) . . ?
P3 Li1 Li2 123.38(11) 15_444 . ?
P2 Li1 Li2 131.64(12) 27_565 . ?
Li3 Li1 Li2 95.12(13) 31_565 . ?
Li3 Li1 Li2 95.78(11) 27_565 . ?
Li2 Li1 Li2 88.33(8) 10_454 . ?
P3 Li1 Li1 54.95(7) . 15_444 ?
P1 Li1 Li1 124.37(6) . 15_444 ?
P3 Li1 Li1 52.61(7) 15_444 15_444 ?
P2 Li1 Li1 123.35(6) 27_565 15_444 ?
Li3 Li1 Li1 175.07(14) 31_565 15_444 ?
Li3 Li1 Li1 92.21(9) 27_565 15_444 ?
Li2 Li1 Li1 86.97(11) 10_454 15_444 ?
Li2 Li1 Li1 89.63(10) . 15_444 ?
P3 Li1 In1 123.13(8) . 31_565 ?
P1 Li1 In1 124.83(8) . 31_565 ?
P3 Li1 In1 52.65(4) 15_444 31_565 ?
P2 Li1 In1 52.33(4) 27_565 31_565 ?
Li3 Li1 In1 87.49(9) 31_565 31_565 ?
Li3 Li1 In1 87.28(9) 27_565 31_565 ?
Li2 Li1 In1 88.58(8) 10_454 31_565 ?
Li2 Li1 In1 176.02(12) . 31_565 ?
Li1 Li1 In1 87.70(8) 15_444 31_565 ?
P3 Li2 P1 110.99(7) 8 . ?
P3 Li2 P2 112.30(8) 8 4_554 ?
P1 Li2 P2 106.40(10) . 4_554 ?
P3 Li2 P3 113.25(10) 8 . ?
P1 Li2 P3 107.89(8) . . ?
P2 Li2 P3 105.59(7) 4_554 . ?
P3 Li2 Li2 58.39(8) 8 8 ?
P1 Li2 Li2 126.65(6) . 8 ?
P2 Li2 Li2 126.41(5) 4_554 8 ?
P3 Li2 Li2 54.87(7) . 8 ?
P3 Li2 Li3 57.65(7) 8 8 ?
P1 Li2 Li3 125.37(11) . 8 ?
P2 Li2 Li3 54.65(7) 4_554 8 ?
P3 Li2 Li3 126.05(11) . 8 ?
Li2 Li2 Li3 94.31(11) 8 8 ?
P3 Li2 Li1 56.02(7) 8 10_454 ?
P1 Li2 Li1 54.97(6) . 10_454 ?
P2 Li2 Li1 126.64(12) 4_554 10_454 ?
P3 Li2 Li1 127.32(11) . 10_454 ?
Li2 Li2 Li1 93.36(11) 8 10_454 ?
Li3 Li2 Li1 93.26(10) 8 10_454 ?
P3 Li2 Li1 128.93(11) 8 . ?
P1 Li2 Li1 54.75(6) . . ?
P2 Li2 Li1 118.77(11) 4_554 . ?
P3 Li2 Li1 53.15(7) . . ?
Li2 Li2 Li1 89.88(10) 8 . ?
Li3 Li2 Li1 173.41(14) 8 . ?
Li1 Li2 Li1 91.57(8) 10_454 . ?
P3 Li2 In1 126.34(8) 8 8 ?
P1 Li2 In1 53.08(5) . 8 ?
P2 Li2 In1 53.36(5) 4_554 8 ?
P3 Li2 In1 120.40(8) . 8 ?
Li2 Li2 In1 175.27(13) 8 8 ?
Li3 Li2 In1 88.96(10) 8 8 ?
Li1 Li2 In1 89.85(10) 10_454 8 ?
Li1 Li2 In1 86.56(10) . 8 ?
P3 Li2 In1 127.32(9) 8 4_554 ?
P1 Li2 In1 121.68(9) . 4_554 ?
P2 Li2 In1 53.23(4) 4_554 4_554 ?
P3 Li2 In1 52.45(4) . 4_554 ?
Li2 Li2 In1 88.88(8) 8 4_554 ?
Li3 Li2 In1 89.05(8) 8 4_554 ?
Li1 Li2 In1 176.66(13) 10_454 4_554 ?
Li1 Li2 In1 85.94(8) . 4_554 ?
In1 Li2 In1 87.77(6) 8 4_554 ?
P2 Li3 P3 112.55(9) . . ?
P2 Li3 P3 111.63(8) . 20_656 ?
P3 Li3 P3 106.86(8) . 20_656 ?
P2 Li3 P1 113.18(8) . 23_666 ?
P3 Li3 P1 106.27(7) . 23_666 ?
P3 Li3 P1 105.84(9) 20_656 23_666 ?
P2 Li3 Li2 57.43(9) . 8 ?
P3 Li3 Li2 55.13(6) . 8 ?
P3 Li3 Li2 125.95(11) 20_656 8 ?
P1 Li3 Li2 127.62(10) 23_666 8 ?
P2 Li3 Li1 58.38(7) . 23_666 ?
P3 Li3 Li1 128.49(9) . 23_666 ?
P3 Li3 Li1 123.92(9) 20_656 23_666 ?
P1 Li3 Li1 54.83(6) 23_666 23_666 ?
Li2 Li3 Li1 96.13(13) 8 23_666 ?
P2 Li3 Li1 57.98(7) . 20_656 ?
P3 Li3 Li1 129.48(11) . 20_656 ?
P3 Li3 Li1 53.75(6) 20_656 20_656 ?
P1 Li3 Li1 123.35(9) 23_666 20_656 ?
Li2 Li3 Li1 96.01(13) 8 20_656 ?
Li1 Li3 Li1 90.96(9) 23_666 20_656 ?
P2 Li3 In1 128.01(9) . 4_554 ?
P3 Li3 In1 53.31(4) . 4_554 ?
P3 Li3 In1 53.57(4) 20_656 4_554 ?
P1 Li3 In1 118.81(9) 23_666 4_554 ?
Li2 Li3 In1 89.86(9) 8 4_554 ?
Li1 Li3 In1 173.26(13) 23_666 4_554 ?
Li1 Li3 In1 91.50(8) 20_656 4_554 ?
P2 Li3 In1 128.30(7) . 18_656 ?
P3 Li3 In1 119.15(9) . 18_656 ?
P3 Li3 In1 53.04(5) 20_656 18_656 ?
P1 Li3 In1 52.82(5) 23_666 18_656 ?
Li2 Li3 In1 174.22(12) 8 18_656 ?
Li1 Li3 In1 88.42(9) 23_666 18_656 ?
Li1 Li3 In1 87.46(8) 20_656 18_656 ?
In1 Li3 In1 85.42(7) 4_554 18_656 ?
P2 Li3 In1 129.59(8) . 25 ?
P3 Li3 In1 53.54(4) . 25 ?
P3 Li3 In1 118.78(9) 20_656 25 ?
P1 Li3 In1 52.74(4) 23_666 25 ?
Li2 Li3 In1 91.61(7) 8 25 ?
Li1 Li3 In1 91.39(7) 23_666 25 ?
Li1 Li3 In1 171.74(13) 20_656 25 ?
In1 Li3 In1 85.32(6) 4_554 25 ?
In1 Li3 In1 84.69(7) 18_656 25 ?

_refine_diff_density_max         0.427
_refine_diff_density_min         -0.818
_refine_diff_density_rms         0.132

