#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/68/1536810.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_1536810
loop_
_publ_author_name
'Ramani, K.'
'Shaikh, A.M.'
'Viswamitra, M.A.'
'Reddy, B.S.'
_publ_section_title
;
 Crystal structure of ferroelectric sodium metavanadate, Na V O3
;
_journal_name_full               Ferroelectrics
_journal_page_first              49
_journal_page_last               56
_journal_volume                  9
_journal_year                    1975
_chemical_formula_sum            'Na O3 V'
_chemical_name_systematic        'Na (V O3)'
_space_group_IT_number           9
_symmetry_space_group_name_Hall  'C -2yc'
_symmetry_space_group_name_H-M   'C 1 c 1'
_cell_angle_alpha                90
_cell_angle_beta                 108.8
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   10.494
_cell_length_b                   9.434
_cell_length_c                   5.863
_cell_volume                     549.472
_citation_journal_id_ASTM        FEROA8
_cod_data_source_file            Ramani_FEROA8_1975_1384.cif
_cod_data_source_block           Na1O3V1
_cod_original_cell_volume        549.4725
_cod_original_formula_sum        'Na1 O3 V1'
_cod_database_code               1536810
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z+1/2
x+1/2,y+1/2,z
x+1/2,-y+1/2,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
O6 O-2 -0.353 -0.006 -0.037 1 0.0
O5 O-2 -0.357 -0.248 -0.317 1 0.0
V1 V+5 0.2925 0.0897 0.2609 1 0.0
O4 O-2 -0.127 -0.101 -0.165 1 0.0
O1 O-2 0.127 0.099 0.164 1 0.0
V2 V+5 -0.2924 -0.0898 -0.2613 1 0.0
O3 O-2 0.352 0.008 0.042 1 0.0
Na2 Na+1 0 0.295 0.25 1 0.0
O2 O-2 0.356 0.247 0.324 1 0.0
Na1 Na+1 0 0.912 0.25 1 0.0
