Slicing the Perovskite Structure with Crystallographic Shear Planes: The AnBnO3n-2 Homologous Series
Artem M. Abakumov; Joke Hadermann; Maria Batuk; Hans D'Hondt; Oleg A. Tyablikov; Marina G. Rozova; Konstantin V. Pokholok; Dmitry S. Filimonov; Denis V. Sheptyakov; Alexander A. Tsirlin; Daniel Niermann; Joachim Hemberger; Gustaaf Van Tendeloo; Evgeny V. Antipov; Inorganic Chemistry 49 (2010) 9508–9516; doi:10.1021/ic101233s

data_4316807
_publ_section_title
;
 Slicing the Perovskite Structure with Crystallographic Shear Planes: The
 AnBnO3n-2 Homologous Series
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              9508
_journal_page_last               9516
_journal_paper_doi               10.1021/ic101233s
_journal_volume                  49
_journal_year                    2010
_chemical_formula_sum            'Ba Bi0.1 Fe2.1 O8 Pb1.9 Ti0.9'
_chemical_formula_weight         840.3
_chemical_name_systematic        ' ?'
_space_group_IT_number           74
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-I 2b 2'
_symmetry_space_group_name_H-M   'I m m a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.7439(3)
_cell_length_b                   3.9888(2)
_cell_length_c                   32.633(2)
_cell_measurement_temperature    550
_cell_volume                     747.66(7)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      550
_diffrn_radiation_probe          neutron
_diffrn_radiation_type           neutron
_diffrn_radiation_wavelength     1.494
_exptl_absorpt_coefficient_mu    0.005
_exptl_absorpt_process_details
'(Jana2000; Petricek, Dusek & Palatinus, 2000)'
_exptl_crystal_density_diffrn    7.4623
_exptl_crystal_F_000             1433.44
_pd_instr_location               ' ?'
_pd_meas_2theta_range_inc        0.05
_pd_meas_2theta_range_max        164.900
_pd_meas_2theta_range_min        4.050
_pd_meas_number_of_points        3218
_pd_proc_2theta_range_inc        0.05
_pd_proc_2theta_range_max        164.35
_pd_proc_2theta_range_min        4.55
_pd_proc_ls_background_function  '14 Legendre polynoms'
_pd_proc_ls_pref_orient_corr     'March & Dollase'
_pd_proc_ls_profile_function     Pseudo-Voigt
_pd_proc_ls_prof_R_factor        0.0371
_pd_proc_ls_prof_wR_expected     0.0269
_pd_proc_ls_prof_wR_factor       0.0476
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.77
_refine_ls_number_parameters     54
_refine_ls_R_factor_all          0.0326
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.0492
_refine_ls_shift/su_mean         0.0143
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0302
_refine_ls_wR_factor_ref         0.0302
_cod_data_source_file            ic101233s_si_002_1.cif
_cod_data_source_block           (II)
_cod_original_formula_sum        'Ba1 Bi0.1 Fe2.1 O8 Pb1.9 Ti0.9'
_cod_database_code               4316807
_cod_database_fobs_code          4316807