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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/1/52/15/1521531.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_1521531
loop_
_publ_author_name
'Loa, I.'
'Kremer, R.K.'
'Syassen, K.'
'Hanfland, M.'
'Schwarz, U.'
_publ_section_title
;
 Structural properties of Na V2 O5 under high pressure
;
_journal_name_full
'Physical Review, Serie 3. B - Condensed Matter (18,1978-)'
_journal_page_first              6945
_journal_page_last               6948
_journal_volume                  60
_journal_year                    1999
_chemical_formula_sum            'Na O5 V2'
_chemical_name_systematic        'Na V2 O5'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  '-P 2ab 2a'
_symmetry_space_group_name_H-M   'P m m n :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.2525
_cell_length_b                   3.6512
_cell_length_c                   3.8506
_cell_volume                     158.202
_citation_journal_id_ASTM        PRBMDO
_cod_data_source_file            Loa_PRBMDO_1999_732.cif
_cod_data_source_block           Na1O5V2
_cod_original_cell_volume        158.2024
_cod_original_formula_sum        'Na1 O5 V2'
_cod_database_code               1521531
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/2,-y+1/2,z
x+1/2,-y,-z
-x,y+1/2,-z
-x,-y,-z
x-1/2,y-1/2,-z
-x-1/2,y,z
x,-y-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 -0.0824 0.25 -0.041 1 0.0
O1 O-2 0.094 0.25 0.543 1 0.0
O3 O-2 0.25 0.25 0.058 1 0.0
V1 V+4 0.094 0.25 0.0942 1 0.0
Na1 Na+1 0.75 0.25 0.409 1 0.0
