Unified (3+1)-dimensional superspace description of the 2212-type stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~] family of compounds
Elcoro, Luis; Pérez, Olivier; Perez-Mato, J. M.; Petříček, Václav; Acta Crystallographica Section B 68 (2012) 341–355; doi:10.1107/S0108768112018095

data_2310046
_publ_section_title
;
 Unified (3+1)-dimensional superspace description of the 2212-type
 stair-like [Bi~2~Sr~3~Fe~2~O~9~]~<i>m~</i>[Bi~4~Sr~6~Fe~2~O~16~]
 family of compounds
;
_journal_coeditor_code           BP5040
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              341
_journal_page_last               355
_journal_paper_doi               10.1107/S0108768112018095
_journal_volume                  68
_journal_year                    2012
_chemical_formula_sum            'Bi12 Fe10 O52 Sr18'
_chemical_formula_weight         5475.3
_chemical_name_systematic        ' ?'
_space_group_ssg_name            X2/m(\a0\g)0s
_symmetry_cell_setting           monoclinic
_cell_angle_alpha                90
_cell_angle_beta                 81.2438
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   3.6174
_cell_length_b                   5.48
_cell_length_c                   3.4641
_cell_measurement_temperature    293
_cell_modulation_dimension       1
_cell_volume                     67.870
_diffrn_ambient_temperature      293
_diffrn_radiation_probe          x-ray
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_wavelength     0.71069
_exptl_absorpt_coefficient_mu    9851.698
_exptl_crystal_density_diffrn    1071.354
_exptl_crystal_F_000             118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    3.00
_refine_ls_goodness_of_fit_ref   3.00
_refine_ls_number_constraints    789
_refine_ls_number_parameters     131
_refine_ls_number_reflns         2674
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0964
_refine_ls_R_factor_gt           0.0964
_refine_ls_shift/su_max          0.0000
_refine_ls_shift/su_mean         0.0000
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0001F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1208
_refine_ls_wR_factor_ref         0.1208
_reflns_number_gt                2671
_reflns_number_total             2674
_reflns_threshold_expression     I>3\s(I)
_cod_duplicate_entry             2310043
_cod_data_source_file            bp5040.cif
_cod_data_source_block           I
_cod_depositor_comments
;
The following automatic conversions were performed:

'_diffrn_radiation_probe' value 'X-ray' changed to 'x-ray' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        67.86972
_cod_database_code               2310046
_jana_cell_commen_supercell_matrix_1_1 4
_jana_cell_commen_supercell_matrix_1_2 0
_jana_cell_commen_supercell_matrix_1_3 4
_jana_cell_commen_supercell_matrix_2_1 0
_jana_cell_commen_supercell_matrix_2_2 1
_jana_cell_commen_supercell_matrix_2_3 0
_jana_cell_commen_supercell_matrix_3_1 -3
_jana_cell_commen_supercell_matrix_3_2 0
_jana_cell_commen_supercell_matrix_3_3 7
_jana_cell_commen_t_section_1    0.006