#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/20/9012062.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9012062
loop_
_publ_author_name
'Sleight, A. W.'
'Chen, H.-Y.'
'Ferretti, A.'
'Cox, D. E.'
_publ_section_title
;
 Crystal growth and structure of BiVO4
 Sample: T = 566 K
;
_journal_name_full               'Materials Research Bulletin'
_journal_page_first              1571
_journal_page_last               1581
_journal_paper_doi               10.1016/0025-5408(72)90227-9
_journal_volume                  14
_journal_year                    1979
_chemical_compound_source        Synthetic
_chemical_formula_sum            'Bi O4 V'
_chemical_name_mineral           Clinobisvanite
_space_group_IT_number           88
_symmetry_space_group_name_Hall  '-I 4ad'
_symmetry_space_group_name_H-M   'I 41/a :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   5.1470
_cell_length_b                   5.1470
_cell_length_c                   11.7216
_cell_formula_units_Z            4
_cell_volume                     310.524
_database_code_amcsd             0014281
_diffrn_ambient_temperature      566
_exptl_crystal_density_diffrn    6.929
_cod_original_sg_symbol_H-M      'I 41/a'
_cod_original_formula_sum        'Bi V O4'
_cod_database_code               9012062
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+x,1/2+y,1/2+z
3/4+y,1/4-x,1/4-z
1/4+y,3/4-x,3/4-z
3/4-y,1/4+x,1/4+z
1/4-y,3/4+x,3/4+z
1/2+x,y,1/2-z
+x,1/2+y,-z
1/2-x,-y,1/2+z
-x,1/2-y,+z
3/4-y,3/4+x,3/4-z
1/4-y,1/4+x,1/4-z
3/4+y,3/4-x,3/4+z
1/4+y,1/4-x,1/4+z
-x,-y,-z
1/2-x,1/2-y,1/2-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Bi 0.00000 0.25000 0.62500 0.01811
V 0.00000 0.25000 0.12500 0.00380
O 0.13750 0.49850 0.20340 0.02115
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0014281
