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#$Date: 2016-02-13 14:50:18 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/45/4124511.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_4124511
loop_
_publ_author_name
'Petkov, V.'
'Trikalitis, P.N.'
'Bozin, E.S.'
'Billinge, S.J.L.'
'Vogt, T.'
'Kanatzidis, M.G.'
_publ_section_title
;
 Structure of V2 O5 * n(H2 O) xerogel solved by the atomic pair
 distribution function technique
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              10157
_journal_page_last               10162
_journal_volume                  124
_journal_year                    2002
_chemical_formula_sum            'O5 V2'
_chemical_name_systematic        'V2 O5'
_space_group_IT_number           59
_symmetry_space_group_name_Hall  'P 2 2ab -1ab'
_symmetry_space_group_name_H-M   'P m m n :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   11.498
_cell_length_b                   3.545
_cell_length_c                   4.345
_cell_volume                     177.104
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Petkov_JACSAT_2002_322.cif
_cod_data_source_block           O5V2
_cod_original_sg_symbol_Hall     '-P 2ab 2a (x-1/4,y-1/4,z)'
_cod_database_code               4124511
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
-x+1/2,-y+1/2,-z
x+1/2,y+1/2,-z
-x,y,z
x,-y,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 0.3145 0 -0.009 1 0.0
O3 O-2 0 0 0.017 1 0.0
O1 O-2 0.1481 0 0.4604 1 0.0
V1 V+5 0.1484 0 0.1083 1 0.0
