#------------------------------------------------------------------------------
#$Date: 2016-10-28 11:40:56 +0300 (Fri, 28 Oct 2016) $
#$Revision: 187653 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/54/43/1544390.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_1544390
loop_
_publ_author_name
'Liu, G.'
'Greedan, J.E.'
_publ_section_title
;
 The synthesis, structure, and characterization of a novel 24-layer oxide:
 Ba8V7O22 with V(III), V(IV), and V(V)
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              371
_journal_page_last               380
_journal_volume                  108
_journal_year                    1994
_chemical_formula_sum            'Ba8 O22 V7'
_chemical_name_common            Ba8V7O22
_space_group_IT_number           166
_space_group_name_H-M_alt        'R -3 m'
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.7841(7)
_cell_length_b                   5.7841(7)
_cell_length_c                   57.074(11)
_cell_volume                     1653.6(4)
_cod_data_source_file            Ba8V7O22.cif
_cod_data_source_block           Ba8V7O22
_cod_original_formula_sum        'Ba8 V7 O22'
_cod_database_code               1544390
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
'-y, x-y, z'
'y, -x+y, -z'
'-x+y, -x, z'
'x-y, x, -z'
'y, x, -z'
'-y, -x, z'
'x-y, -y, -z'
'-x+y, y, z'
'-x, -x+y, -z'
'x, x-y, z'
'x+2/3, y+1/3, z+1/3'
'-x+2/3, -y+1/3, -z+1/3'
'-y+2/3, x-y+1/3, z+1/3'
'y+2/3, -x+y+1/3, -z+1/3'
'-x+y+2/3, -x+1/3, z+1/3'
'x-y+2/3, x+1/3, -z+1/3'
'y+2/3, x+1/3, -z+1/3'
'-y+2/3, -x+1/3, z+1/3'
'x-y+2/3, -y+1/3, -z+1/3'
'-x+y+2/3, y+1/3, z+1/3'
'-x+2/3, -x+y+1/3, -z+1/3'
'x+2/3, x-y+1/3, z+1/3'
'x+1/3, y+2/3, z+2/3'
'-x+1/3, -y+2/3, -z+2/3'
'-y+1/3, x-y+2/3, z+2/3'
'y+1/3, -x+y+2/3, -z+2/3'
'-x+y+1/3, -x+2/3, z+2/3'
'x-y+1/3, x+2/3, -z+2/3'
'y+1/3, x+2/3, -z+2/3'
'-y+1/3, -x+2/3, z+2/3'
'x-y+1/3, -y+2/3, -z+2/3'
'-x+y+1/3, y+2/3, z+2/3'
'-x+1/3, -x+y+2/3, -z+2/3'
'x+1/3, x-y+2/3, z+2/3'
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_adp_type
_atom_site_U_iso_or_equiv
_atom_site_type_symbol
Ba1 1.0 0.000000 0.000000 0.31720(10) Uiso 0.009333 Ba
Ba2 1.0 0.000000 0.000000 0.10470(10) Uiso 0.017333 Ba
Ba3 1.0 0.000000 0.000000 0.18120(10) Uiso 0.010333 Ba
Ba4 1.0 0.000000 0.000000 0.38910(10) Uiso 0.008667 Ba
V1 1.0 0.000000 0.000000 0.04350(10) Uiso 0.007000 V
V2 1.0 0.000000 0.000000 0.46530(10) Uiso 0.009333 V
V3 1.0 0.000000 0.000000 0.25650(10) Uiso 0.007333 V
V4 1.0 0.000000 0.000000 0.000000 Uiso 0.008333 V
O1 1.0 0.1527(2) -0.1527(2) 0.02100(10) Uiso 0.010111 O
O2 1.0 0.1714(2) -0.1714(2) 0.14200(10) Uiso 0.014667 O
O3 1.0 -0.1675(2) 0.1675(2) 0.06410(10) Uiso 0.012556 O
O4 1.0 0.000000 0.000000 0.22720(10) Uiso 0.040000 O
O5 1.0 0.000000 0.000000 0.43560(10) Uiso 0.030667 O
