Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with Original Topologies of Oxo-Centered Units
Lü, Minfeng; Colmont, Marie; Huvé, Marielle; De Waele, Isabelle; Terryn, Christine; Aliev, Almaz; Mentré, Olivier; Inorganic Chemistry  (2014) 141031160816001–; doi:10.1021/ic501776h

data_4341417
_publ_section_title
;
 Investigation of New Alkali Bismuth Oxosulfates and Oxophosphates with
 Original Topologies of Oxo-Centered Units
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              141031160816001
_journal_paper_doi               10.1021/ic501776h
_journal_year                    2014
_chemical_formula_sum            'Bi7 K3 O24 S4'
_chemical_formula_weight         2092.4
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      15
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 133.3070(9)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   28.5219(8)
_cell_length_b                   11.4600(3)
_cell_length_c                   20.0843(6)
_cell_measurement_temperature    293
_cell_volume                     4777.1(2)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.99
_diffrn_measured_fraction_theta_max 0.99
_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  0.0627
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       43
_diffrn_reflns_limit_h_min       -43
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            63914
_diffrn_reflns_theta_full        33.16
_diffrn_reflns_theta_max         33.16
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    52.359
_exptl_absorpt_correction_T_max  0.7465
_exptl_absorpt_correction_T_min  0.3365
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   Bruker
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    5.8166
_exptl_crystal_description       transparent
_exptl_crystal_F_000             7152
_exptl_crystal_size_max          0.117
_exptl_crystal_size_mid          0.023
_exptl_crystal_size_min          0.020
_refine_diff_density_max         2.98
_refine_diff_density_min         -2.29
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.51
_refine_ls_goodness_of_fit_ref   1.32
_refine_ls_number_constraints    0
_refine_ls_number_parameters     224
_refine_ls_number_reflns         5246
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0679
_refine_ls_R_factor_gt           0.0350
_refine_ls_shift/su_max          0.0285
_refine_ls_shift/su_mean         0.0017
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w=1/(\s^2^(F)+0.0004F^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.0484
_refine_ls_wR_factor_ref         0.0549
_reflns_number_gt                3204
_reflns_number_total             5246
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic501776h_si_003.cif
_cod_data_source_block           I
_cod_database_code               4341417