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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/1/53/21/1532156.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_1532156
loop_
_publ_author_name
'Sawa, H.'
'Ohama, T.'
'Ninomiya, E.'
'Nakao, H.'
'Noda, Y.'
'Ohwada, K.'
'Fujii, Y.'
'Murakami, Y.'
'Ueda, Y.'
'Isobe, M.'
_publ_section_title
;
 Low-temperature structure of the quarter-filled ladder compound
 alpha'-(Na V2 O5)
;
_journal_name_full               'Journal of the Physical Society of Japan'
_journal_page_first              385
_journal_page_last               388
_journal_volume                  71
_journal_year                    2002
_chemical_formula_sum            'Na O5 V2'
_chemical_name_systematic        'Na (V2 O5)'
_space_group_IT_number           5
_symmetry_space_group_name_Hall  'A 2'
_symmetry_space_group_name_H-M   'A 1 1 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                107.59
_cell_formula_units_Z            16
_cell_length_a                   11.879
_cell_length_b                   7.179
_cell_length_c                   19.0304
_cell_volume                     1547.019
_citation_journal_id_ASTM        JUPSAU
_cod_data_source_file            Sawa_JUPSAU_2002_716.cif
_cod_data_source_block           Na1O5V2
_cod_original_sg_symbol_Hall     'C 2y (z,x,y)'
_cod_original_formula_sum        'Na1 O5 V2'
_cod_database_code               1532156
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,y+1/2,z+1/2
-x,-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
O8 O-2 0.3253 0.914 0.1208 1 0.0
O4 O-2 0.4979 0.2477 0.3727 1 0.0
O18 O-2 0.3628 0.185 0.4855 1 0.0
O17 O-2 0.1337 0.315 0.2617 1 0.0
V5 V+4 0.1543 0.3273 0.3463 1 0.0
Na8 Na+1 0.5 0.5 0.2864 1 0.0
Na6 Na+1 0.5 0 0.286 1 0.0
Na2 Na+1 0.5 0 0.0368 1 0.0
O3 O-2 0.998 0.2463 0.3814 1 0.0
V3 V+4 0.1542 0.8271 0.0956 1 0.0
O20 O-2 0.3631 0.683 0.4884 1 0.0
Na3 Na+1 0 0.5 0.2144 1 0.0
V8 V+4 0.3449 0.6726 0.4043 1 0.0
O15 O-2 0.1335 0.814 0.0109 1 0.0
V6 V+5 0.3505 0.1751 0.4004 1 0.0
O9 O-2 0.1783 0.089 0.3772 1 0.0
O14 O-2 0.3627 0.182 0.2357 1 0.0
Na7 Na+1 0 0.5 0.4647 1 0.0
Na1 Na+1 0 0 0.2149 1 0.0
O2 O-2 0.4993 0.2514 0.1228 1 0.0
O5 O-2 0.178 0.091 0.1272 1 0.0
O6 O-2 0.3227 0.41 0.1227 1 0.0
O11 O-2 0.1762 0.591 0.3782 1 0.0
V2 V+5 0.3498 0.175 0.1507 1 0.0
O13 O-2 0.1345 0.317 0.0152 1 0.0
O1 O-2 0.0014 0.2484 0.1314 1 0.0
O16 O-2 0.3633 0.688 0.2382 1 0.0
V7 V+5 0.1502 0.8252 0.3488 1 0.0
O10 O-2 0.3256 0.411 0.3711 1 0.0
O12 O-2 0.3228 0.915 0.3728 1 0.0
O7 O-2 0.1764 0.588 0.1285 1 0.0
Na4 Na+1 0.5 0.5 0.0361 1 0.0
V4 V+4 0.3457 0.6732 0.154 1 0.0
Na5 Na+1 0 0 0.465 1 0.0
O19 O-2 0.1342 0.813 0.2646 1 0.0
V1 V+5 0.1502 0.3253 0.0993 1 0.0
