#------------------------------------------------------------------------------
#$Date: 2024-05-16 08:36:09 +0200 (Thu 16 de May de 2024) $
#$Revision: 291877 $
#$URL: svn://www.crystallography.net/cod/cif/9/01/18/9011855.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_9011855
loop_
_publ_author_name
'Astrov, D. N.'
'Kryukova, N. A.'
'Zorin, R. B.'
'Makarov, V. A.'
'Ozerov, R. P.'
'Rozhdestvenskii, F. A.'
'Smirnov, V. P.'
'Turchaninov, A. M.'
'Fadeeva, N. V.'
_publ_section_title
;Atomic and molecular ordering in MeTaO4 (Me=Ti,V,Cr,Fe) with a rutile
 structure
;
_journal_name_full               'Soviet Physics Crystallography'
_journal_page_first              1017
_journal_page_last               1023
_journal_volume                  17
_journal_year                    1972
_chemical_formula_structural     VTaO4
_chemical_formula_sum            'O2 Ta0.5 V0.5'
_space_group_IT_number           136
_symmetry_space_group_name_Hall  '-P 4n 2n'
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.667
_cell_length_b                   4.667
_cell_length_c                   3.047
_cell_formula_units_Z            2
_cell_volume                     66.366
_database_code_amcsd             0015557
_exptl_crystal_density_diffrn    7.403
_cod_original_formula_sum        '(V.5 Ta.5) O2'
_cod_database_code               9011855
_amcsd_formula_title             VTaO4
loop_
_space_group_symop_operation_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+x,1/2-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
V 0.00000 0.00000 0.00000 0.50000 0.00507
Ta 0.00000 0.00000 0.00000 0.50000 0.00507
O 0.29500 0.29500 0.00000 1.00000 0.00507
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0015557
