#------------------------------------------------------------------------------
#$Date: 2012-02-28 12:14:52 +0000 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/11/1001150.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_1001150
_chemical_name_systematic          'Uranium(V) vanadium oxide'
_chemical_formula_structural       'U V O5'
_chemical_formula_sum              'O5 U V'
_publ_section_title                'Structure cristalline de U V O~5~'
loop_
_publ_author_name
  'Chevalier, R'
  'Gasperin, M'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    93
_journal_year                      1970
_journal_page_first                18
_journal_page_last                 22
_cell_length_a                     12.31
_cell_length_b                     7.19
_cell_length_c                     4.115
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       364.2
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b m a'
_symmetry_Int_Tables_number        57
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,1/2+y,-z'
  '1/2-x,-y,z'
  '1/2+x,1/2-y,-z'
  '-x,-y,-z'
  'x,1/2-y,z'
  '1/2+x,y,-z'
  '1/2-x,1/2+y,z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U5+    5.000
  V5+    5.000
  O2-   -2.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  U1    U5+    4 d 0.0273 0.25 0.0137 1.  0 d
  V1    V5+    4 c 0.75 0. 0.1134 1.  0 d
  O1    O2-    4 d 0.029 0.25 0.511 1.  0 d
  O2    O2-    4 c 0.25 0. 0.513 1.  0 d
  O3    O2-    4 d 0.717 0.25 0.026 1.  0 d
  O4    O2-    8 e 0.599 0.538 0.008 1.  0 d
_refine_ls_R_factor_all            0.1
_cod_database_code 1001150