#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/00/80/1008069.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_1008069
_chemical_name_systematic          'Chromium uranium(V) oxide'
_chemical_formula_structural       'U Cr O4'
_chemical_formula_sum              'Cr O4 U'
_publ_section_title
;
Parametres atomiques et structure magnetique de U Cr O~4~
;
loop_
_publ_author_name
  'Bacmann, M'
  'Bertaut, E F'
  'Bassi, G'
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_coden_ASTM                BUFCAE
_journal_volume                    88
_journal_year                      1965
_journal_page_first                214
_journal_page_last                 218
_cell_length_a                     4.871
_cell_length_b                     11.787
_cell_length_c                     5.053
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       290.1
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P b c n'
_symmetry_Int_Tables_number        60
_symmetry_cell_setting             orthorhombic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2-x,1/2-y,1/2+z'
  '1/2+x,1/2-y,-z'
  '-x,y,1/2-z'
  '-x,-y,-z'
  '1/2+x,1/2+y,1/2-z'
  '1/2-x,1/2+y,z'
  'x,-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U5+    5.000
  Cr3+   3.000
  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 c 0. 0.167 0.25 1.  0 d
  Cr1   Cr3+   4 c 0. 0.437 0.25 1.  0 d
  O1    O2-    8 d 0.743 0.453 0.569 1.  0 d
  O2    O2-    8 d 0.765 0.312 0.088 1.  0 d
_refine_ls_R_factor_all            0.1
_cod_database_code 1008069