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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1008003.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_1008003
_chemical_name_systematic          'DICHROMIUM URANIUM(VI) OXIDE'
_chemical_formula_structural       'U CR2 O6'
_chemical_formula_sum              'Cr2 O6 U'
_publ_section_title
;
Etude par diffractions X et neutronique d'un monocristal de Cr~2~ O~6~
U obtenu par synthese hydrothermale sous tres haute pression.
Determination des structures cristallographique et magnetique
;
loop_
_publ_author_name
  'Collomb, A'
  'Gondrand, M'
  'Lehmann, M'
  'Capponi, J J'
  'Joubert, J C'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    16
_journal_year                      1976
_journal_page_first                41
_journal_page_last                 48
_cell_length_a                     4.990(1)
_cell_length_b                     4.990(1)
_cell_length_c                     4.622(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       99.7
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P -3 1 m'
_symmetry_Int_Tables_number        162
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,z'
  'y-x,-x,z'
  'y,x,z'
  '-x,y-x,z'
  'x-y,-y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  '-y,-x,-z'
  'x,x-y,-z'
  'y-x,y,-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  U6+    6.000
  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    U6+    1 a 0. 0. 0. 1.  0 d
  Cr1   Cr3+   2 d 0.3333 0.6667 0.5 1.  0 d
  O1    O2-    6 k 0.3405(3) 0. 0.2647(2) 1.  0 d
_refine_ls_R_factor_all            0.029