#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1006067.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_1006067
_chemical_name_systematic
;
Lanthanum uranium oxide (1.2/0.8/4) - R~III~
;
_chemical_formula_structural       'La1.2 U0.8 O4'
_chemical_formula_sum              'La1.2 O4 U.8'
_publ_section_title
;
Structural study of the rhombohedral fluorite-related R~III~ phase U~1-
y~La~y~O~2+x~, 0.56<y<0.67
;
loop_
_publ_author_name
  'Rojas, R M'
  'Herrero, P'
  'Garcia=Chain, P J'
  'Rodriguez-Carvajal, J'
_journal_name_full                 'Journal of Solid State Chemistry'
_journal_coden_ASTM                JSSCBI
_journal_volume                    112
_journal_year                      1994
_journal_page_first                322
_journal_page_last                 328
_cell_length_a                     3.94275(5)
_cell_length_b                     3.94275(5)
_cell_length_c                     18.87889(30)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       254.2
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'R -3 m H'
_symmetry_Int_Tables_number        166
_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,x-y,z'
  'y-x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  'x-y,x,-z'
  'y,x,-z'
  '-x,y-x,-z'
  'x-y,-y,-z'
  '1/3+x,2/3+y,2/3+z'
  '2/3+x,1/3+y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-y,2/3-x,2/3+z'
  '2/3-y,1/3-x,1/3+z'
  '1/3+x,2/3+x-y,2/3+z'
  '2/3+x,1/3+x-y,1/3+z'
  '1/3-x+y,2/3+y,2/3+z'
  '2/3-x+y,1/3+y,1/3+z'
  '1/3-x,2/3-y,2/3-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3+x-y,2/3-y,2/3-z'
  '2/3+x-y,1/3-y,1/3-z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  La3+   3.000
  U6+    5.500
  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
  La1   La3+   3 a 0. 0. 0. 1.  0 d
  La2   La3+   3 b 0. 0. 0.5 0.2  0 d
  U1    U6+    3 b 0. 0. 0.5 0.8  0 d
  O1    O2-    6 c 0. 0. 0.1334(6) 1.  0 d
  O2    O2-    6 c 0. 0. 0.3847(7) 1.  0 d
_refine_ls_R_factor_all            0.037