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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/21/1532106.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_1532106
loop_
_publ_author_name
'Rogado, N.'
'Lynn, J.W.'
'Huang, Q.'
'Ramirez, A.P.'
'Huse, D.'
'Cava, R.J.'
_publ_section_title
;
 Ba Ni2 V2 O8 : a two-dimensional honeycomb antiferromagnet
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              144443-1
_journal_page_last               144443-7
_journal_volume                  65
_journal_year                    2002
_chemical_formula_sum            'Ba Ni2 O8 V2'
_chemical_name_systematic        'Ba (Ni2 V2 O8)'
_space_group_IT_number           148
_symmetry_space_group_name_Hall  '-R 3'
_symmetry_space_group_name_H-M   'R -3 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   5.02899
_cell_length_b                   5.02899
_cell_length_c                   22.345
_cell_volume                     489.410
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Rogado_PRBMDO_2002_1243.cif
_cod_data_source_block           Ba1Ni2O8V2
_cod_original_cell_volume        489.4096
_cod_original_formula_sum        'Ba1 Ni2 O8 V2'
_cod_database_code               1532106
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
-x,-y,-z
y,-x+y,-z
x-y,x,-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
-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
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
-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
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
V1 V+5 0 0 0.42458 1 0.0
O1 O-2 0 0 0.34994 1 0.0
Ba1 Ba+2 0 0 0 1 0.0
O2 O-2 0.659 0.0047 0.21965 1 0.0
Ni1 Ni+2 0 0 0.16957 1 0.0
