New complex bismuth oxides in the Bi2O3–NiO–Sb2O5 system and their properties
Egorysheva, A. V.; Ellert, O. G.; Zubavichus, Y. V.; Gajtko, O. M.; Efimov, N. N.; Svetogorov, R. D.; Murzin, V. Yu.; Journal of Solid State Chemistry 225 (2015) 97–104; doi:10.1016/j.jssc.2014.12.001

data_1562012
_publ_section_title
;
 New complex bismuth oxides in the Bi2O3--NiO--Sb2O5 system and their
 properties
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              97
_journal_page_last               104
_journal_paper_doi               10.1016/j.jssc.2014.12.001
_journal_volume                  225
_journal_year                    2015
_chemical_absolute_configuration .
_chemical_formula_sum            'Bi12 Ni2.666 O44 Sb9.334'
_chemical_formula_weight         4504.6
_space_group_IT_number           201
_space_group_name_Hall           '-P 2ab 2bc 3'
_space_group_name_H-M_alt        'P n -3 :2'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      201
_symmetry_space_group_name_Hall  '-P 2ab 2bc 3'
_symmetry_space_group_name_H-M   'P n -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   9.54721(2)
_cell_length_b                   9.54721(2)
_cell_length_c                   9.54721(2)
_cell_measurement_temperature    293
_cell_volume                     870.221(3)
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_wavelength     0.68886
_exptl_absorpt_coefficient_mu    63.654
_exptl_crystal_density_diffrn    8.5928
_exptl_crystal_F_000             1899
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.01
_pd_meas_2theta_range_max        52.315
_pd_meas_2theta_range_min        0.001
_pd_meas_number_of_points        4998
_pd_proc_2theta_range_inc        0.01
_pd_proc_2theta_range_max        49.991
_pd_proc_2theta_range_min        3.504
_pd_proc_ls_background_function  '15 Chebyshev polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0137
_pd_proc_ls_prof_wR_expected     0.3515
_pd_proc_ls_prof_wR_factor       0.0186
_refine_diff_density_max         0.50
_refine_diff_density_min         -0.95
_refine_ls_goodness_of_fit_all   0.05
_refine_ls_number_constraints    3
_refine_ls_number_parameters     38
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0315
_refine_ls_R_factor_gt           0.0249
_refine_ls_shift/su_max          0.0273
_refine_ls_shift/su_mean         0.0011
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0266
_refine_ls_wR_factor_gt          0.0236
_cod_data_source_file            JSSC-2015-225-97.cif
_cod_data_source_block           II
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_diffrn_radiation_probe' value 'X-ray' was changed to
'x-ray' 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        870.222(4)
_cod_original_sg_symbol_Hall     '-P 2ab;2bc;3'
_cod_original_sg_symbol_H-M      'P n -3'
_cod_database_code               1562012