Synthesis and structure of Bi3Ca9V11O41
Radosavljevic, Ivana; Howard, Judith A. K.; Sleight, Arthur W.; Evans, John S. O.; Journal of Materials Chemistry 10 (2000) 2091–; doi:10.1039/b002857f

data_7203977
_publ_section_title
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 Synthesis and structure of Bi3Ca9V11O41
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_journal_issue                   9
_journal_name_full               'Journal of Materials Chemistry'
_journal_page_first              2091
_journal_paper_doi               10.1039/b002857f
_journal_volume                  10
_journal_year                    2000
_chemical_formula_moiety         'C0 H0 Bi3.03 Ca8.97 V11 O41'
_chemical_formula_sum            'C0 H0 Bi3.03 Ca8.97 O41 V11'
_chemical_formula_weight         2209.87
_chemical_name_systematic        bismuthcalciumvanadate
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_date             11-11-97
_audit_creation_method           CRYSTALS
_cell_angle_alpha                79.891
_cell_angle_beta                 85.382
_cell_angle_gamma                89.057
_cell_formula_units_Z            2.00
_cell_length_a                   9.410
_cell_length_b                   10.004
_cell_length_c                   18.881
_cell_measurement_reflns_used    500
_cell_measurement_temperature    120
_cell_measurement_theta_max      30.73
_cell_measurement_theta_min      1.10
_cell_volume                     1744.134
_diffrn_ambient_temperature      120
_diffrn_measurement_device_type  Smart
_diffrn_measurement_method       2\q/\w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.04
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            22871
_diffrn_reflns_theta_max         30.62
_diffrn_reflns_theta_min         1.10
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    19.34
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            ' orange '
_exptl_crystal_density_diffrn    4.21
_exptl_crystal_density_meas      4.20
_exptl_crystal_description       ' box '
_exptl_crystal_F_000             2006.31
_exptl_crystal_size_max          0.04
_exptl_crystal_size_mid          0.02
_exptl_crystal_size_min          0.02
_refine_diff_density_max         4.64
_refine_diff_density_min         -2.27
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   0.6348
_refine_ls_number_parameters     589
_refine_ls_number_reflns         6501
_refine_ls_R_factor_gt           0.0393
_refine_ls_shift/su_max          0.04134
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0411
_reflns_limit_h_max              13
_reflns_limit_h_min              -13
_reflns_limit_k_max              14
_reflns_limit_k_min              -13
_reflns_limit_l_max              26
_reflns_limit_l_min              0
_reflns_number_observed          6501
_reflns_number_total             9637
_reflns_threshold_expression     >3.00\s(I)
_cod_data_source_file            b002857f.txt
_cod_data_source_block           CRYSTALS_cif
_cod_depositor_comments
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The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic ' changed to 'triclinic'
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 
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_cod_original_cell_volume        1744.05
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        ' C0 H0 Bi3.03 Ca8.97 V11 O41 '
_cod_database_code               7203977