Supertetrahedral polyanionic network in the first lithium phosphidoindate Li<sub>3</sub>InP<sub>2</sub> - structural similarity to Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and Li<sub>3</sub>GaP<sub>2</sub>.
Restle, Tassilo M. F.; Deringer, Volker L.; Meyer, Jan; Raudaschl-Sieber, Gabriele; Fässler, Thomas F; Chemical science 12 (2020) 1278–1285; doi:10.1039/d0sc05851c

data_1559664
_publ_section_title
;
 Supertetrahedral polyanionic network in the first lithium phosphidoindate
 Li<sub>3</sub>InP<sub>2</sub> - structural similarity to
 Li<sub>2</sub>SiP<sub>2</sub> and Li<sub>2</sub>GeP<sub>2</sub> and
 dissimilarity to Li<sub>3</sub>AlP<sub>2</sub> and
 Li<sub>3</sub>GaP<sub>2</sub>.
;
_journal_issue                   4
_journal_name_full               'Chemical science'
_journal_page_first              1278
_journal_page_last               1285
_journal_paper_doi               10.1039/d0sc05851c
_journal_volume                  12
_journal_year                    2020
_chemical_formula_moiety         'In1 P2, 3(Li)'
_chemical_formula_sum            'In Li3 P2'
_chemical_formula_weight         197.59
_space_group_crystal_system      tetragonal
_space_group_IT_number           142
_space_group_name_Hall           '-I 4bd 2c'
_space_group_name_H-M_alt        'I 41/a c d :2'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-08-31 deposited with the CCDC.	2020-11-26 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            32
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_cell_length_b                   12.0065(3)
_cell_length_c                   23.9165(7)
_cell_measurement_reflns_used    67179
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      42.885
_cell_measurement_theta_min      2.94
_cell_volume                     3447.71(16)
_computing_cell_refinement       'STOE X-AREA 1.76'
_computing_data_collection       'STOE X-AREA 1.76'
_computing_data_reduction        'STOE X-AREA 1.76'
_computing_molecular_graphics    'DIAMOND 3.2k'
_computing_structure_refinement  SHELXL-2014/7
_computing_structure_solution    SHELXS-86
_diffrn_ambient_temperature      150(2)
_diffrn_detector                 Pilatus300K
_diffrn_detector_area_resol_mean 5.81
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_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'STOE StadiVari'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'Graded multilayer mirror'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0289
_diffrn_reflns_av_unetI/netI     0.0099
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
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_diffrn_reflns_limit_l_max       36
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            39481
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
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_diffrn_reflns_theta_max         34.995
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_diffrn_source                   'Genix 3D HF Mo'
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_diffrn_source_voltage           50
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_exptl_absorpt_process_details   'STOE X-AREA 1.76'
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_exptl_crystal_description       block
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_exptl_crystal_size_min          0.05
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_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     56
_refine_ls_number_reflns         1905
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0212
_refine_ls_R_factor_gt           0.0143
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0185P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0302
_refine_ls_wR_factor_ref         0.0316
_reflns_number_gt                1577
_reflns_number_total             1905
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0sc05851c2.cif
_cod_data_source_block           JMTR-03
_cod_depositor_comments
;Adding full bibliography for 1559664.cif.

 Adding full bibliography for 1559664.cif.
;
_cod_original_cell_volume        3447.7(2)
_cod_original_sg_symbol_H-M      'I 41/a c d'
_cod_database_code               1559664
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              88560