#------------------------------------------------------------------------------
#$Date: 2011-09-17 21:27:16 +0100 (Sat, 17 Sep 2011) $
#$Revision: 26029 $
#$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
loop_
_publ_author_name
'V. Grover'
'S. N. Achary'
'A. K. Tyagi'
_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)
;
_journal_name_full               'Journal of Applied Crystallography'
_journal_page_first              1082
_journal_page_last               1084
_journal_volume                  36
_journal_year                    2003
_chemical_formula_analytical     'Ce0.2 Gd0.8 O1.60'
_chemical_formula_moiety         Gd0.8Ce0.2O1.60
_chemical_formula_structural     ' (Gd0.8Ce0.2)(O1.60)'
_chemical_formula_sum            'Ce0.2 Gd0.8 O1.6'
_chemical_formula_weight         179.40
_symmetry_cell_setting           cubic
_symmetry_space_group_name_Hall  '-I 2b 2c 3'
_symmetry_space_group_name_H-M   'I a -3'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_formula_units_Z            32
_cell_length_a                   10.84880(10)
_cell_length_b                   10.84880(10)
_cell_length_c                   10.84880(10)
_cell_measurement_temperature    293
_cell_volume                     1276.86(2)
_diffrn_ambient_temperature      293
_exptl_crystal_density_diffrn    7.46
_[local]_cod_chemical_formula_sum_orig ' Gd0.8Ce0.2O1.60'
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Cubic' changed to 'cubic' according to
'/home/saulius/struct/CIF-dictionaries/cif_core.dic' dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_database_code               2300050
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
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