LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir
Gui, Xin; Cava, Robert J.; Chemistry of Materials 34 (2022) 2824–2832; doi:10.1021/acs.chemmater.2c00280

data_4004072
_publ_section_title
;
 LaIr3Ga2: A Superconductor Based on a Kagome Lattice of Ir
;
_journal_issue                   6
_journal_name_full               'Chemistry of Materials'
_journal_page_first              2824
_journal_page_last               2832
_journal_paper_doi               10.1021/acs.chemmater.2c00280
_journal_volume                  34
_journal_year                    2022
_chemical_formula_sum            'Ga2 Ir3 La'
_chemical_formula_weight         854.95
_space_group_crystal_system      hexagonal
_space_group_IT_number           191
_space_group_name_Hall           '-P 6 2'
_space_group_name_H-M_alt        'P 6/m m m'
_audit_creation_method           SHELXL-2013
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   5.5884(3)
_cell_length_b                   5.5884(3)
_cell_length_c                   3.9063(3)
_cell_measurement_reflns_used    1429
_cell_measurement_temperature    301(2)
_cell_measurement_theta_max      30.98
_cell_measurement_theta_min      4.21
_cell_volume                     105.650(11)
_computing_structure_refinement  'SHELXL-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      301(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  Bruker_GUEST
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0217
_diffrn_reflns_av_unetI/netI     0.0101
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -8
_diffrn_reflns_limit_l_max       5
_diffrn_reflns_limit_l_min       -5
_diffrn_reflns_number            1393
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.979
_diffrn_reflns_theta_min         4.211
_exptl_absorpt_coefficient_mu    116.327
_exptl_absorpt_correction_T_max  0.4383
_exptl_absorpt_correction_T_min  0.0511
_exptl_absorpt_correction_type   numerical
_exptl_crystal_density_diffrn    13.438
_exptl_crystal_description       metallic
_exptl_crystal_F_000             350
_exptl_crystal_size_max          0.094
_exptl_crystal_size_mid          0.078
_exptl_crystal_size_min          0.009
_refine_diff_density_max         1.356
_refine_diff_density_min         -1.836
_refine_diff_density_rms         0.328
_refine_ls_extinction_coef       0.0096(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.182
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     9
_refine_ls_number_reflns         91
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.182
_refine_ls_R_factor_all          0.0124
_refine_ls_R_factor_gt           0.0124
_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/[\s^2^(Fo^2^)+(0.0226P)^2^+0.5061P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0339
_refine_ls_wR_factor_ref         0.0339
_reflns_Friedel_coverage         0.000
_reflns_number_gt                91
_reflns_number_total             91
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            cm2c00280_si_002.cif
_cod_data_source_block           XG_1432_0m
_cod_original_cell_volume        105.650(13)
_cod_database_code               4004072
_shelx_estimated_absorpt_t_min   0.032
_shelx_estimated_absorpt_t_max   0.421
_shelxl_version_number           2013-4
_shelx_res_checksum              6090
_shelx_hkl_checksum              45855