Preparation and crystal structure of a new bismuth vanadate, Bi3.33(VO4)2O2
Kumada, N; Takei, T; Haramoto, R; Yonesaki, Y; Dong, Q; Kinomura, N; Nishimoto, S; Kameshima, Y; Miyake, M; Materials Research Bulletin 46 (2011) 962–965; doi:10.1016/j.materresbull.2011.02.009

data_1507777
_publ_section_title
;
 Preparation and crystal structure of a new bismuth vanadate,
 Bi3.33(VO4)2O2
;
_journal_name_full
;
Materials Research Bulletin
;
_journal_page_first              962
_journal_page_last               965
_journal_paper_doi               10.1016/j.materresbull.2011.02.009
_journal_volume                  46
_journal_year                    2011
_chemical_formula_sum            'Bi3.33 O10 V2'
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                106.090(7)
_cell_angle_beta                 94.468(7)
_cell_angle_gamma                112.506(8)
_cell_formula_units_Z            2
_cell_length_a                   7.1135(14)
_cell_length_b                   7.8442(15)
_cell_length_c                   9.3719(18)
_cell_measurement_reflns_used    4008
_cell_measurement_temperature    293
_cell_measurement_theta_max      27.50
_cell_measurement_theta_min      3.11
_cell_volume                     454.12(16)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.0'
_computing_publication_material  'CrystalStructure 4.0 (Rigaku, 2009)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku Mercury375R/M CCD (XtaLAB mini)'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0715
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            4811
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    59.852
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    6.588
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Plate
_exptl_crystal_F_000             762.00
_exptl_crystal_size_max          0.07
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.460
_refine_diff_density_min         -3.910
_refine_ls_extinction_coef       0.0003(2)
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.734
_refine_ls_number_parameters     147
_refine_ls_number_reflns         2085
_refine_ls_number_restraints     0
_refine_ls_R_factor_gt           0.0521
_refine_ls_shift/su_max          0.404
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1443
_reflns_number_gt                1436
_reflns_number_total             2085
_reflns_threshold_expression     F>2.0\s(F)
_cod_data_source_file            BiVO_CIF.cif
_cod_data_source_block           BiVO
_cod_original_cell_volume        454.11(16)
_cod_original_formula_sum        'Bi3.33 V2 O10'
_cod_database_code               1507777