#------------------------------------------------------------------------------
#$Date: 2009-11-18 14:56:34 +0000 (Wed, 18 Nov 2009) $
#$Revision: 858 $
#$URL: svn://www.crystallography.net/cod/cif/2/2300050.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_2300050
_journal_name_full  'Journal of Applied Crystallography'
_journal_year  2003
_journal_volume  36
_journal_page_first  1082
_journal_page_last  1084
_publ_section_title
;
Structural analysis of anion-excess C-type rare-earth oxide: A case study
with Gd1-xCexO1.5+x/2 (x = 0.20 and 0.40)
;
loop_
_publ_author_name
  'V. Grover'
  'S. N. Achary'
  'A. K. Tyagi'
_chemical_formula_moiety  Gd0.8Ce0.2O1.60
_chemical_formula_sum            'Ce0.2 Gd0.8 O1.6'
_[local]_cod_chemical_formula_sum_orig ' Gd0.8Ce0.2O1.60'
_chemical_formula_structural  ' (Gd0.8Ce0.2)(O1.60)'
_chemical_formula_analytical  'Ce0.2 Gd0.8 O1.60'
_chemical_formula_weight  179.40
_symmetry_cell_setting  Cubic
_symmetry_space_group_name_H-M  'I a -3'
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'x+1/2,-y+1/2,-z'
  '-x,y+1/2,-z+1/2'
  '-x+1/2,-y,z+1/2'
  'y,z,x'
  '-y+1/2,-z,x+1/2'
  'y+1/2,-z+1/2,-x'
  '-y,z+1/2,-x+1/2'
  'z,x,y'
  '-z,x+1/2,-y+1/2'
  '-z+1/2,-x,y+1/2'
  'z+1/2,-x+1/2,-y'
  '-x,-y,-z'
  '-x+1/2,y+1/2,z'
  'x,-y+1/2,z+1/2'
  'x+1/2,y,-z+1/2'
  '-y,-z,-x'
  'y+1/2,z,-x+1/2'
  '-y+1/2,z+1/2,x'
  'y,-z+1/2,x+1/2'
  '-z,-x,-y'
  'z,-x+1/2,y+1/2'
  'z+1/2,x,-y+1/2'
  '-z+1/2,x+1/2,y'
  'x+1/2,y+1/2,z+1/2'
  'x,-y,-z+1/2'
  '-x+1/2,y,-z'
  '-x,-y+1/2,z'
  'y+1/2,z+1/2,x+1/2'
  '-y,-z+1/2,x'
  'y,-z,-x+1/2'
  '-y+1/2,z,-x'
  'z+1/2,x+1/2,y+1/2'
  '-z+1/2,x,-y'
  '-z,-x+1/2,y'
  'z,-x,-y+1/2'
  '-x+1/2,-y+1/2,-z+1/2'
  '-x,y,z+1/2'
  'x+1/2,-y,z'
  'x,y+1/2,-z'
  '-y+1/2,-z+1/2,-x+1/2'
  'y,z+1/2,-x'
  '-y,z,x+1/2'
  'y+1/2,-z,x'
  '-z+1/2,-x+1/2,-y+1/2'
  'z+1/2,-x,y'
  'z,x+1/2,-y'
  '-z,x,y+1/2'
_cell_length_a  10.84880(10)
_cell_length_b  10.84880(10)
_cell_length_c  10.84880(10)
_cell_angle_alpha  90.00000
_cell_angle_beta  90.00000
_cell_angle_gamma  90.00000
_cell_volume  1276.86(2)
_cell_formula_units_Z  32
_cell_measurement_temperature  293
_exptl_crystal_density_diffrn  7.46
_diffrn_ambient_temperature  293
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_type_symbol
  Gd1 0.25000 0.25000 0.25000 0.00798 Uiso 0.8 GD+3
  Gd1 0.25000 0.25000 0.25000 0.00798 Uiso 0.2 CE+4
  Gd2 -0.02515(14) 0.00000 0.25000 0.00391 Uiso 0.8 GD+3
  Gd2 -0.02515(14) 0.00000 0.25000 0.00391 Uiso 0.2 CE+4
  O1 0.3911(15)  0.1470(14)  0.3763(19)  0.00636 Uiso 0.96(6) O-2
  O2 0.407(3)  0.407(3)  0.407(3)  0.00636 Uiso 0.37(6) O-2