#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1001133.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_1001133
_chemical_name_systematic          'Barium iron uranium oxide (2/1.3/0.7/6)'
_chemical_formula_structural       'Ba2 Fe1.333 U.667 O6'
_chemical_formula_sum            'Ba2 Fe1.333 O6 U0.667'
_[local]_cod_chemical_formula_sum_orig 'Ba2 Fe1.333 O6 U.667'
_publ_section_title
;
Preparation et etude cristallographique du systeme Ba~2~ Mg U O~6~ -
Ba~2~ Fe~1.333~ U.~667~ O~6~
;
loop_
_publ_author_name
  'Padel, L'
  'Poix, P'
  'Michel, A'
_journal_name_full                 'Revue de Chimie Minerale'
_journal_coden_ASTM                RVCMA8
_journal_volume                    9
_journal_year                      1972
_journal_page_first                337
_journal_page_last                 350
_cell_length_a                     8.25
_cell_length_b                     8.25
_cell_length_c                     8.25
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       561.5
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P a -3'
_symmetry_Int_Tables_number        205
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2-y,-z'
  '-x,1/2+y,1/2-z'
  '1/2-x,-y,1/2+z'
  'y,z,x'
  '1/2-y,-z,1/2+x'
  '1/2+y,1/2-z,-x'
  '-y,1/2+z,1/2-x'
  'z,x,y'
  '-z,1/2+x,1/2-y'
  '1/2-z,-x,1/2+y'
  '1/2+z,1/2-x,-y'
  '-x,-y,-z'
  '1/2-x,1/2+y,z'
  'x,1/2-y,1/2+z'
  '1/2+x,y,1/2-z'
  '-y,-z,-x'
  '1/2+y,z,1/2-x'
  '1/2-y,1/2+z,x'
  'y,1/2-z,1/2+x'
  '-z,-x,-y'
  'z,1/2-x,1/2+y'
  '1/2+z,x,1/2-y'
  '1/2-z,1/2+x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Ba2+   2.000
  Fe3+   3.000
  U6+    6.000
  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
  Ba1   Ba2+   8 c 0.25 0.25 0.25 1.  0 d
  Fe1   Fe3+   4 a 0. 0. 0. 1.  0 d
  Fe2   Fe3+   4 b 0.5 0.5 0.5 0.333  0 d
  U1    U6+    4 b 0.5 0.5 0.5 0.667  0 d
  O1    O2-   24 d 0.24 0.99 0.99 1.  0 d
_refine_ls_R_factor_all            0.0428
_cod_database_code 1001133