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#$Date: 2015-07-08 15:13:47 +0300 (Wed, 08 Jul 2015) $
#$Revision: 141074 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/52/13/1521328.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_1521328
loop_
_publ_author_name
'Millet, P.'
'Henry, J.Y.'
'Galy, J.'
'Mila, F.'
_publ_section_title
;
 Vanadium(IV)-oxide nanotubes: crystal structure of the low-dimensional
 quantum magnet Na2 V3 O7
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              676
_journal_page_last               678
_journal_volume                  147
_journal_year                    1999
_chemical_formula_sum            'Na2 O7 V3'
_chemical_name_systematic        'Na2 (V3 O7)'
_space_group_IT_number           159
_symmetry_space_group_name_Hall  'P 3 -2c'
_symmetry_space_group_name_H-M   'P 3 1 c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            6
_cell_length_a                   10.886
_cell_length_b                   10.886
_cell_length_c                   9.538
_cell_volume                     978.869
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Millet_JSSCBI_1999_367.cif
_cod_data_source_block           Na2O7V3
_cod_database_code               1521328
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,z+1/2
-x,-x+y,z+1/2
x-y,-y,z+1/2
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 0.4891 0.2371 0.351 1 0.0
Na4 Na+1 0.4908 0.5107 0.3364 1 0.0
O3 O-2 0.4766 0.3148 0.665 1 0.0
V1 V+4 0.3146 0.1154 0 1 0.0
Na2 Na+1 0.3333 0.6667 0.039 1 0.0
Na3 Na+1 0.3333 0.6667 0.6722 1 0.0
V3 V+4 0.3147 0.1918 0.7 1 0.0
O6 O-2 0.2424 0.1661 0.1671 1 0.0
O5 O-2 0.2506 0.0712 0.5333 1 0.0
O4 O-2 0.3029 0.038 0.8127 1 0.0
O7 O-2 0.2514 0.2924 0.3942 1 0.0
O1 O-2 0.4757 0.1534 0.042 1 0.0
V2 V+4 0.3154 0.1518 0.3496 1 0.0
Na1 Na+1 0 0 0.124 1 0.0
