Supertetrahedral Layers Based on GaAs or InAs.
Weippert, Valentin; Haffner, Arthur; Stamatopoulos, Alexis; Johrendt, Dirk; Journal of the American Chemical Society 141 (2019) 11245–11252; doi:10.1021/jacs.9b04712

data_4127423
_publ_section_title
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 Supertetrahedral Layers Based on GaAs or InAs.
;
_journal_issue                   28
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              11245
_journal_page_last               11252
_journal_paper_doi               10.1021/jacs.9b04712
_journal_volume                  141
_journal_year                    2019
_chemical_formula_sum            'As8 Eu3 Ga6'
_chemical_formula_weight         1473.56
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_audit_creation_method           SHELXL-2016/6
_cell_angle_alpha                90
_cell_angle_beta                 96.393(2)
_cell_angle_gamma                90
_cell_formula_units_Z            32
_cell_length_a                   22.740(3)
_cell_length_b                   22.747(3)
_cell_length_c                   25.505(3)
_cell_measurement_reflns_used    9496
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      52.811
_cell_measurement_theta_min      6.430
_cell_volume                     13111(3)
_computing_structure_refinement  'SHELXL-2016/6 (Sheldrick, 2016)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 Quest'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0800
_diffrn_reflns_av_unetI/netI     0.0470
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       27
_diffrn_reflns_limit_h_min       -27
_diffrn_reflns_limit_k_max       27
_diffrn_reflns_limit_k_min       -27
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            107875
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.681
_diffrn_reflns_theta_min         2.277
_exptl_absorpt_coefficient_mu    36.993
_exptl_absorpt_correction_T_max  0.2602
_exptl_absorpt_correction_T_min  0.1526
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    5.972
_exptl_crystal_description       plate
_exptl_crystal_F_000             20448
_exptl_crystal_size_max          0.045
_exptl_crystal_size_mid          0.035
_exptl_crystal_size_min          0.008
_refine_diff_density_max         9.028
_refine_diff_density_min         -9.518
_refine_diff_density_rms         1.540
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.177
_refine_ls_hydrogen_treatment    undef
_refine_ls_matrix_type           full
_refine_ls_number_parameters     273
_refine_ls_number_reflns         12444
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.177
_refine_ls_R_factor_all          0.1663
_refine_ls_R_factor_gt           0.1306
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0942P)^2^+9345.3770P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2890
_refine_ls_wR_factor_ref         0.3120
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8183
_reflns_number_total             12444
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            ja9b04712_si_002.cif
_cod_data_source_block           shelx
_cod_database_code               4127423
_shelx_shelxl_version_number     2016/6
_shelx_estimated_absorpt_t_min   0.287
_shelx_estimated_absorpt_t_max   0.756
_shelx_res_checksum              41095
_shelx_hkl_checksum              1932