Single-crystal growth, structure and thermal transport properties of the metallic antiferromagnet Zintl-phase β-EuIn<sub>2</sub>As<sub>2</sub>.
Wu, D. S.; Na, S. H.; Li, Y. J.; Zhou, X. B.; Wu, W.; Song, Y. T.; Zheng, P.; Li, Z.; Luo, J. L.; Physical chemistry chemical physics : PCCP 26 (2024) 8695–8703; doi:10.1039/d3cp04524b

data_7247651
_publ_section_title
;
 Single-crystal growth, structure and thermal transport properties of the
 metallic antiferromagnet Zintl-phase
 &#x3b2;-EuIn<sub>2</sub>As<sub>2</sub>.
;
_journal_issue                   11
_journal_name_full               'Physical chemistry chemical physics : PCCP'
_journal_page_first              8695
_journal_page_last               8703
_journal_paper_doi               10.1039/d3cp04524b
_journal_volume                  26
_journal_year                    2024
_chemical_formula_sum            'As2 Eu In2'
_chemical_formula_weight         531.44
_space_group_crystal_system      trigonal
_space_group_IT_number           166
_space_group_name_Hall           '-R 3 2"'
_space_group_name_H-M_alt        'R -3 m :H'
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-08-01 deposited with the CCDC.	2023-10-31 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.2102(2)
_cell_length_b                   4.2102(2)
_cell_length_c                   26.3814(13)
_cell_measurement_reflns_used    2439
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      27.94
_cell_measurement_theta_min      2.32
_cell_volume                     404.98(3)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'BRUKER D8 VENTURE'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0550
_diffrn_reflns_av_unetI/netI     0.0310
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       5
_diffrn_reflns_limit_h_min       -5
_diffrn_reflns_limit_k_max       5
_diffrn_reflns_limit_k_min       -5
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            2321
_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         27.936
_diffrn_reflns_theta_min         2.316
_exptl_absorpt_coefficient_mu    31.927
_exptl_absorpt_correction_type   'multi scans'
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    6.537
_exptl_crystal_description       bulk
_exptl_crystal_F_000             681
_exptl_crystal_size_max          0.167
_exptl_crystal_size_mid          0.102
_exptl_crystal_size_min          0.037
_exptl_transmission_factor_max   0.7456
_exptl_transmission_factor_min   0.2776
_refine_diff_density_max         2.614
_refine_diff_density_min         -2.682
_refine_diff_density_rms         0.721
_refine_ls_extinction_coef       0.0030(7)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/3 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.255
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     10
_refine_ls_number_reflns         160
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.255
_refine_ls_R_factor_all          0.0365
_refine_ls_R_factor_gt           0.0365
_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^)+(0.0508P)^2^+8.2731P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0873
_refine_ls_wR_factor_ref         0.0873
_reflns_Friedel_coverage         0.000
_reflns_number_gt                160
_reflns_number_total             160
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3cp04524b2.cif
_cod_data_source_block           20190930_EX1_WDS_EIA_2_0m_a
_cod_depositor_comments          'Adding full bibliography for 7247651.cif.'
_cod_original_cell_volume        404.98(4)
_cod_database_code               7247651
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.076
_shelx_estimated_absorpt_t_max   0.385
_shelx_res_checksum              89929