Bi3n+1Ti7Fe3n-3O9n+11 Homologous Series: Slicing Perovskite Structure with Planar Interfaces Containing Anatase-like Chains.
Batuk, Dmitry; Tsirlin, Alexander A.; Filimonov, Dmitry S.; Zakharov, Konstantin V.; Volkova, Olga S.; Vasiliev, Alexander; Hadermann, Joke; Abakumov, Artem M.; Inorganic chemistry 55 (2016) 1245–1257; doi:10.1021/acs.inorgchem.5b02465

data_4344739
_publ_section_title
;
 Bi3n+1Ti7Fe3n-3O9n+11 Homologous Series: Slicing Perovskite Structure
 with Planar Interfaces Containing Anatase-like Chains.
;
_journal_issue                   3
_journal_name_full               'Inorganic chemistry'
_journal_page_first              1245
_journal_page_last               1257
_journal_paper_doi               10.1021/acs.inorgchem.5b02465
_journal_volume                  55
_journal_year                    2016
_chemical_formula_sum            'Bi10 Fe6 O38 Ti7'
_chemical_formula_weight         3368
_space_group_IT_number           71
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      71
_symmetry_space_group_name_Hall  '-I 2 2'
_symmetry_space_group_name_H-M   'I m m m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.85114(17)
_cell_length_b                   3.85076(4)
_cell_length_c                   33.0722(6)
_cell_measurement_temperature    293
_cell_volume                     1509.28(4)
_diffrn_ambient_temperature      293
_diffrn_measurement_device_type  HRPT
_diffrn_radiation_probe          neutron
_diffrn_radiation_wavelength     1.8857
_exptl_absorpt_coefficient_mu    0.008
_exptl_crystal_density_diffrn    7.4087
_exptl_crystal_F_000             2888
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        164.700
_pd_meas_2theta_range_min        3.750
_pd_meas_number_of_points        3220
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        160.45
_pd_proc_2theta_range_min        7.05
_pd_proc_ls_background_function  '13 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     none
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0275
_pd_proc_ls_prof_wR_expected     0.0111
_pd_proc_ls_prof_wR_factor       0.0387
_refine_ls_goodness_of_fit_all   3.61
_refine_ls_number_constraints    1
_refine_ls_number_parameters     71
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0635
_refine_ls_R_factor_gt           0.0631
_refine_ls_shift/su_max          0.0490
_refine_ls_shift/su_mean         0.0114
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_all         0.0807
_refine_ls_wR_factor_gt          0.0807
_cod_data_source_file            ic5b02465_si_002.cif
_cod_data_source_block           Model_1
_cod_depositor_comments
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The following automatic conversions were performed:

data name '_atom_site_site_symmetry_mutiplicity' was replaced with
'_atom_site_site_symmetry_multiplicity' as specified in the
replacement file 'data/replacement-values/replacement_tags.lst'.

Automatic conversion script
Id: cif_correct_tags 9268 2022-04-12 08:56:07Z antanas 
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_cod_database_code               4344739