#------------------------------------------------------------------------------
#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/75/1527584.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1527584
loop_
_publ_author_name
'Jansen, P.W.J.'
'Spitsbergen, U.'
'de Wolff, P.M.'
_publ_section_title
;
 The crystal structure of a lower barium vanadium oxide
;
_journal_name_full
;
Recueil des Travaux Chimiques des Pays-Bas et de la Belgique
;
_journal_page_first              821
_journal_page_last               827
_journal_volume                  84
_journal_year                    1965
_chemical_formula_sum            'Ba3 O4.8 V'
_chemical_name_systematic        'Ba3 V O4.8'
_space_group_IT_number           140
_symmetry_space_group_name_Hall  '-I 4 2c'
_symmetry_space_group_name_H-M   'I 4/m c m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.29
_cell_length_b                   7.29
_cell_length_c                   11.78
_cell_volume                     626.037
_citation_journal_id_ASTM        RTCPA3
_cod_data_source_file            Jansen_RTCPA3_1965_1578.cif
_cod_data_source_block           Ba3O4.8V1
_cod_original_cell_volume        626.0375
_cod_original_formula_sum        'Ba3 O4.8 V1'
_cod_database_code               1527584
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z+1/2
y,x,-z+1/2
-x,y,-z+1/2
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z-1/2
-y,-x,z-1/2
x,-y,z-1/2
y,x,z-1/2
x+1/2,y+1/2,z+1/2
-y+1/2,x+1/2,z+1/2
-x+1/2,-y+1/2,z+1/2
y+1/2,-x+1/2,z+1/2
x+1/2,-y+1/2,-z+1
y+1/2,x+1/2,-z+1
-x+1/2,y+1/2,-z+1
-y+1/2,-x+1/2,-z+1
-x+1/2,-y+1/2,-z+1/2
y+1/2,-x+1/2,-z+1/2
x+1/2,y+1/2,-z+1/2
-y+1/2,x+1/2,-z+1/2
-x+1/2,y+1/2,z
-y+1/2,-x+1/2,z
x+1/2,-y+1/2,z
y+1/2,x+1/2,z
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O2 O-2 0 0 0 0.8 0.0
V1 V+3 0 0.5 0.25 1 0.0
O1 O-2 0.154 0.654 0.333 1 0.0
Ba1 Ba+2 0.181 0.681 0 1 0.0
Ba2 Ba+2 0 0 0.25 1 0.0
