#------------------------------------------------------------------------------
#$Date: 2015-07-10 14:46:32 +0300 (Fri, 10 Jul 2015) $
#$Revision: 142151 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/19/1521934.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_1521934
loop_
_publ_author_name
'Skakle, J.M.S.'
'Coats, A.M.'
'Marr, J.'
_publ_section_title
;
 The crystal structures of Ba2 R2/3 V2 O8 (R = La, Nd) and Sr2 La2/3 V2
 O8; palmierite derivatives
;
_journal_name_full               'Journal of Materials Science'
_journal_page_first              3251
_journal_page_last               3256
_journal_volume                  35
_journal_year                    2000
_chemical_formula_sum            'Ba2 Nd0.667 O8 V2'
_chemical_name_systematic        'Ba2 Nd0.667 V2 O8'
_space_group_IT_number           166
_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                   5.6336
_cell_length_b                   5.6336
_cell_length_c                   20.08749
_cell_volume                     552.113
_citation_journal_id_ASTM        JMTSAS
_cod_data_source_file            Skakle_JMTSAS_2000_1582.cif
_cod_data_source_block           Ba2Nd0.667O8V2
_cod_original_cell_volume        552.1135
_cod_database_code               1521934
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
-x,-y,-z
y,-x+y,-z
x-y,x,-z
-y,-x,z
x,x-y,z
-x+y,y,z
x+2/3,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
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+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
x-y+2/3,x+1/3,-z+1/3
-y+2/3,-x+1/3,z+1/3
x+2/3,x-y+1/3,z+1/3
-x+y+2/3,y+1/3,z+1/3
x+1/3,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
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+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
x-y+1/3,x+2/3,-z+2/3
-y+1/3,-x+2/3,z+2/3
x+1/3,x-y+2/3,z+2/3
-x+y+1/3,y+2/3,z+2/3
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
Ba2 Ba+2 0 0 0.20516 0.5 0.0
Nd1 Nd+3 0 0 0.20516 0.3333 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0.161 0.839 0.5649 1 0.0
O1 O-2 0 0 0.3276 1 0.0
V1 V+5 0 0 0.4077 1 0.0
