Phase relations and structural properties of the ternary narrow gap semiconductors Zn5Sb4In2−δ (δ=0.15) and Zn9Sb6In2
Wu, Yang; Tengå, Andreas; Lidin, Sven; Häussermann, Ulrich; Journal of Solid State Chemistry 183 (2010) 1574–1581; doi:10.1016/j.jssc.2010.05.001

data_1563544
_publ_section_title
;
 Phase relations and structural properties of the ternary narrow gap
 semiconductors Zn5Sb4In2&#x2212;\d (\d=0.15) and Zn9Sb6In2
;
_journal_issue                   7
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              1574
_journal_page_last               1581
_journal_paper_doi               10.1016/j.jssc.2010.05.001
_journal_volume                  183
_journal_year                    2010
_chemical_formula_sum            'In2 Sb6 Zn9'
_chemical_formula_weight         1548.6
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.142(2)
_cell_length_b                   17.146(5)
_cell_length_c                   25.719(7)
_cell_volume                     3149.5(15)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.95
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       34
_diffrn_reflns_limit_l_min       -34
_diffrn_reflns_number            21287
_diffrn_reflns_theta_full        21.70
_diffrn_reflns_theta_max         28.37
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    26.347
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  1.000
_exptl_absorpt_correction_type   none
_exptl_crystal_density_diffrn    6.530
_exptl_crystal_F_000             5391
_refine_diff_density_max         3.21
_refine_diff_density_min         -3.11
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.60
_refine_ls_goodness_of_fit_ref   0.92
_refine_ls_number_parameters     308
_refine_ls_number_reflns         7183
_refine_ls_R_factor_all          0.1885
_refine_ls_R_factor_gt           0.0408
_refine_ls_shift/su_max          0.0246
_refine_ls_shift/su_mean         0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0004I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0837
_refine_ls_wR_factor_ref         0.1028
_reflns_number_gt                1809
_reflns_number_total             7183
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            JSSC-2010-183-1574-2.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_exptl_absorpt_correction_type' value 'None' was changed
to 'none' in accordance with the built-in table derived from the CIF
Core dictionary named 'cif_core.dic' version 2.4.5 last updated on
2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_cell_volume        3149.4(15)
_cod_original_sg_symbol_Hall     'P 2zac;2xab'
_cod_database_code               1563544