Synthesis and Crystal Chemistry of Two New Fluorite-Related Bismuth Phosphates, Bi4.25(PO4)2O3.375and Bi5(PO4)2O4.5, in the Series Bi4+x(PO4)2O3+3x/2(0.175 ≤x≤ 1)
Muktha, B.; Guru Row, T. N.; Inorganic Chemistry 45 (2006) 4706–4711; doi:10.1021/ic0601337

data_4332225
_publ_section_title
;
 Synthesis and Crystal Chemistry of Two New Fluorite-Related Bismuth
 Phosphates, Bi4.25(PO4)2O3.375and Bi5(PO4)2O4.5, in the Series
 Bi4+x(PO4)2O3+3x/2(0.175 &#x2264;x&#x2264; 1)
;
_journal_issue                   12
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4706
_journal_page_last               4711
_journal_paper_doi               10.1021/ic0601337
_journal_volume                  45
_journal_year                    2006
_chemical_formula_sum            'Bi2.5 O6.25 P'
_chemical_formula_weight         653.4
_chemical_name_systematic        ' ?'
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_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                 98.24
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   13.0933
_cell_length_b                   5.707
_cell_length_c                   15.293
_cell_volume                     1130.949
_computing_publication_material  '(Jana2000; Petricek and Dusek, 2000)'
_computing_structure_refinement  '(Jana2000; Petricek and Dusek, 2000)'
_diffrn_measured_fraction_theta_full 0.97
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.098
_diffrn_reflns_av_sigmaI/netI    0.1540
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -7
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            4706
_diffrn_reflns_theta_full        28.10
_diffrn_reflns_theta_max         28.10
_diffrn_reflns_theta_min         2.69
_exptl_absorpt_coefficient_mu    77.891
_exptl_absorpt_correction_T_max  0.425
_exptl_absorpt_correction_T_min  0.063
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details
;
Interpolation using  Int.Tab. Vol. C (1992) p. 523,Tab. 6.3.3.3
for values of muR in the range 0-2.5, and Int.Tab. Vol.II (1959)
p.302; Table 5.3.6 B for muR in the range 2.6-10.0.
The interpolation procedure of C.W.Dwiggins Jr (Acta Cryst.(1975)
A31,146-148) is used with some modification.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    7.6727
_exptl_crystal_description       cylindrical
_exptl_crystal_F_000             2179
_exptl_crystal_size_max          0.053
_exptl_crystal_size_mid          0.032
_exptl_crystal_size_min          0.011
_refine_diff_density_max         4.17
_refine_diff_density_min         -5.55
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_gt    1.33
_refine_ls_goodness_of_fit_ref   1.33
_refine_ls_number_parameters     44
_refine_ls_number_reflns         933
_refine_ls_R_factor_all          0.0600
_refine_ls_R_factor_gt           0.0600
_refine_ls_shift/su_max          0.0003
_refine_ls_shift/su_mean         0.0001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details     w=1/(\s^2^(I)+0.0009I^2^)
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_gt          0.1228
_refine_ls_wR_factor_ref         0.1228
_reflns_number_gt                933
_reflns_number_total             1354
_reflns_threshold_expression     I>3\s(I)
_cod_data_source_file            ic0601337sup1.cif
_cod_data_source_block           (I)
_cod_depositor_comments
;
The following automatic conversions were performed:

'_exptl_absorpt_correction_type' value 'Numerical' changed to
'numerical' 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_formula_sum        'Bi2.5 O6.25 P1'
_cod_database_code               4332225