Synthesis, Crystal Structure, and Oxide Ion Conductivity in Bi~4.6~Ca~1.1~VO~10.5~
Radosavljevic Evans, Ivana; Tao, Shanwen; Irvine, John T. S.; Howard, Judith A. K.; Chemistry of Materials 14 (2002) 3700–3704; doi:10.1021/cm021158g

data_4000192
_publ_section_title
;
 Synthesis, Crystal Structure, and Oxide Ion Conductivity in
 Bi~4.6~Ca~1.1~VO~10.5~
;
_journal_coden_ASTM              CMATEX
_journal_issue                   9
_journal_name_full               'Chemistry of Materials'
_journal_page_first              3700
_journal_page_last               3704
_journal_paper_doi               10.1021/cm021158g
_journal_volume                  14
_journal_year                    2002
_chemical_formula_moiety         ' Bi4.6 Ca1.1 O10.50 V1 '
_chemical_formula_sum            'Bi4.6 Ca1.1 O10.5 V'
_chemical_formula_weight         1237.92
_space_group_IT_number           58
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2 2n'
_symmetry_space_group_name_H-M   'P n n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   11.930(2)
_cell_length_b                   16.030(3)
_cell_length_c                   11.500(2)
_cell_measurement_temperature    100(1)
_cell_volume                     2199.2(3)
_diffrn_ambient_temperature      100(1)
_diffrn_measured_fraction_theta_max 0.899
_diffrn_reflns_av_R_equivalents  2.14
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       20
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            7156
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.46
_exptl_absorpt_coefficient_mu    22.12
_exptl_crystal_colour            ' yellow '
_exptl_crystal_density_diffrn    7.477
_exptl_crystal_description       ' prism '
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.05
_refine_diff_density_max         5.49
_refine_diff_density_min         -8.45
_refine_ls_goodness_of_fit_ref   1.0236
_refine_ls_number_parameters     186
_refine_ls_number_reflns         2198
_refine_ls_R_factor_gt           0.0767
_refine_ls_shift/su_max          0.183492
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
Chebychev polynomial with 3 parameters, Carruthers & Watkin , 1979,
0.312    0.242    0.332E-01
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0911
_reflns_limit_h_max              15
_reflns_limit_h_min              0
_reflns_limit_k_max              20
_reflns_limit_k_min              0
_reflns_limit_l_max              14
_reflns_limit_l_min              0
_reflns_number_gt                2198
_reflns_number_total             2268
_reflns_threshold_expression     >3.00\s(I)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic ' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

 Updated bibliographic information.

 Antanas Vaitkus,
 2019-10-01
;
_cod_original_sg_symbol_H-M      'P n n m '
_cod_original_formula_sum        ' Bi4.6 Ca1.1 O10.50 V1 '
_cod_database_code               4000192