Bi3+/M2+Oxyphosphate: A Continuous Series of Polycationic Species from the 1D Single Chain to the 2D Planes. Part 2: Crystal Structure of Three Original Structural Types Showing a Combination of New Ribbonlike Polycations
Colmont, Marie; Huvé, Marielle; Mentré, Olivier; Inorganic Chemistry 45 (2006) 6612–6621; doi:10.1021/ic060343j

data_4332413
_publ_section_title
;
 Bi3+/M2+Oxyphosphate: A Continuous Series of Polycationic Species from
 the 1D Single Chain to the 2D Planes. Part 2:&#x00A0; Crystal Structure
 of Three Original Structural Types Showing a Combination of New
 Ribbonlike Polycations
;
_journal_issue                   17
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6612
_journal_page_last               6621
_journal_paper_doi               10.1021/ic060343j
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Bi15.32 Cd10 O58 P10'
_chemical_formula_weight         5563.12
_chemical_name_common            'bismuth cadmium oxide phosphate'
_chemical_name_systematic        ' ?'
_space_group_IT_number           55
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2ab'
_symmetry_space_group_name_H-M   'P b a m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   23.0203
_cell_length_b                   5.4403
_cell_length_c                   20.4391
_cell_volume                     2559.738
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_ambient_temperature      293
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0539
_diffrn_reflns_av_sigmaI/netI    0.0310
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       -24
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            8112
_diffrn_reflns_theta_max         23.29
_diffrn_reflns_theta_min         2.67
_exptl_absorpt_coefficient_mu    56.94
_exptl_absorpt_correction_T_max  0.16506
_exptl_absorpt_correction_T_min  0.02704
_exptl_absorpt_correction_type   gaussian
_exptl_absorpt_process_details   XPREP
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    7.361
_exptl_crystal_description
;
0.00   -1.00   0.00    0.2350
0.00    1.00   0.00    0.2350
 -1.00   0.00    0.00    0.0220
 1.00    0.00    0.00    0.0220
 0.00    0.00  -1.00    0.0180
 0.00    0.00    1.00    0.0180
;
_exptl_crystal_F_000             4739
_refine_diff_density_max         4.24
_refine_diff_density_min         -4.04
_refine_ls_extinction_coef       0
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    3.16
_refine_ls_goodness_of_fit_ref   2.88
_refine_ls_number_constraints    11
_refine_ls_number_parameters     193
_refine_ls_number_reflns         1350
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0656
_refine_ls_R_factor_gt           0.0502
_refine_ls_shift/su_max          0.0278
_refine_ls_shift/su_mean         0.0029
_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          0.0502
_refine_ls_wR_factor_ref         0.0514
_reflns_number_gt                1113
_reflns_number_total             1350
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic060343jsup1.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Gaussian' changed to
'gaussian' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_cell_volume        2559.739
_cod_original_sg_symbol_Hall     '-P -2z;-2xab'
_cod_original_formula_sum        'Bi15.32 Cd10O58 P10'
_cod_database_code               4332413