Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic study.
Lü, Minfeng; Colmont, Marie; Kabbour, Houria; Colis, Silviu; Mentré, Olivier; Inorganic chemistry 53 (2014) 6969–6978; doi:10.1021/ic500877z

data_4339985
_publ_section_title
;
 Revised bi/m layered oxo-sulfate (m = co, cu): a structural and magnetic
 study.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6969
_journal_page_last               6978
_journal_paper_doi               10.1021/ic500877z
_journal_volume                  53
_journal_year                    2014
_chemical_formula_sum            'Bi2 Co O7 S'
_chemical_formula_weight         620.9
_chemical_name_systematic        ' ?'
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   5.4153(2)
_cell_length_b                   14.2437(6)
_cell_length_c                   15.7595(7)
_cell_measurement_temperature    293
_cell_volume                     1215.59(9)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device       'four-cycle diffractometer'
_diffrn_measurement_device_type  'Bruker CCD'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0364
_diffrn_reflns_av_sigmaI/netI    0.0161
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            30725
_diffrn_reflns_theta_full        33.07
_diffrn_reflns_theta_max         33.07
_diffrn_reflns_theta_min         2.58
_exptl_absorpt_coefficient_mu    60.790
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.3272
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    6.7837
_exptl_crystal_description       transparent
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_exptl_crystal_size_max          0.380
_exptl_crystal_size_mid          0.250
_exptl_crystal_size_min          0.180
_refine_diff_density_max         1.24
_refine_diff_density_min         -5.76
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.63
_refine_ls_goodness_of_fit_ref   1.57
_refine_ls_number_constraints    0
_refine_ls_number_parameters     100
_refine_ls_number_reflns         2310
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0256
_refine_ls_R_factor_gt           0.0220
_refine_ls_shift/su_max          0.0413
_refine_ls_shift/su_mean         0.0020
_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          0.0264
_refine_ls_wR_factor_ref         0.0268
_reflns_number_gt                2085
_reflns_number_total             2310
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            ic500877z_si_002.cif
_cod_data_source_block           I
_cod_depositor_comments
'Adding full bibliography for 4339984--4339986.cif.'
_cod_original_sg_symbol_Hall     '-P -2xab;-2ybc;-2zac'
_cod_original_formula_sum        'Bi2 Co1 O7 S1'
_cod_database_code               4339985