Incommensurate crystallographic shear structure of Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>} (<i>x</i> = 0.275)
Michiue, Yuichi; Yamamoto, Akiji; Onoda, Mitsuko; Sato, Akira; Akashi, Takaya; Yamane, Hisanori; Acta Crystallographica Section B 61 (2005) 145–153; doi:10.1107/S0108768105001655

data_2100211
_publ_section_title
;
 Incommensurate crystallographic shear structure of
 Ba~<i>x~</i>Bi~2{-~2<i>x</i>}Ti~4{-~<i>x</i>}O~11{-~4<i>x</i>}
 (<i>x</i> = 0.275)
;
_journal_issue                   2
_journal_name_full               'Acta Crystallographica Section B'
_journal_page_first              145
_journal_page_last               153
_journal_paper_doi               10.1107/S0108768105001655
_journal_volume                  61
_journal_year                    2005
_chemical_formula_sum            'Ba0.0504 Bi0.2661 O1.8165 Ti0.6835'
_chemical_formula_weight         124.3
_chemical_name_systematic        ' ?'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   ?P?
_cell_angle_alpha                90
_cell_angle_beta                 92.625(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.6914(3)
_cell_length_b                   3.79630(10)
_cell_length_c                   3.34570(10)
_cell_measurement_reflns_used    4621
_cell_measurement_temperature    298
_cell_measurement_theta_max      45
_cell_measurement_theta_min      2.5
_cell_volume                     135.652(7)
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_measurement_device_type  'Mac Science DIP320'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Nb K\a'
_diffrn_radiation_wavelength     0.7476
_diffrn_reflns_av_R_equivalents  0.033
_diffrn_reflns_av_sigmaI/netI    0.0436
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       3
_diffrn_reflns_limit_k_min       -4
_diffrn_reflns_limit_l_max       3
_diffrn_reflns_limit_l_min       -7
_diffrn_reflns_number            2389
_diffrn_reflns_theta_max         45
_diffrn_reflns_theta_min         2.45
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    38.91
_exptl_absorpt_correction_T_max  0.274
_exptl_absorpt_correction_T_min  0.161
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            'pale yellow'
_exptl_crystal_density_diffrn    6.0853(3)
_exptl_crystal_description       prism
_exptl_crystal_F_000             218
_exptl_crystal_size_max          0.10
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.04
_refine_diff_density_max         3.08
_refine_diff_density_min         -2.56
_refine_ls_extinction_coef       0.002725
_refine_ls_extinction_method
'B-C type 1 Gaussian isotropic (Becker & Coppens, 1974)'
_refine_ls_goodness_of_fit_ref   1.85
_refine_ls_number_parameters     81
_refine_ls_number_reflns         925
_refine_ls_R_factor_gt           0.0418
_refine_ls_shift/su_max          0.0057
_refine_ls_shift/su_mean         0.0011
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/\s^2^(F)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0421
_reflns_number_gt                925
_reflns_number_total             1059
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            sn5011.cif
_cod_data_source_block           I
_cod_database_code               2100211