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#$Date: 2016-02-14 14:26:36 +0000 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/60/1006067.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
loop_
_publ_author_name
'Rojas, R M'
'Herrero, P'
'Garcia Chain, P J'
'Rodriguez-Carvajal, J'
_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
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              322
_journal_page_last               328
_journal_paper_doi               10.1006/jssc.1994.1312
_journal_volume                  112
_journal_year                    1994
_chemical_formula_structural     'La1.2 U0.8 O4'
_chemical_formula_sum            'La1.2 O4 U0.8'
_chemical_name_systematic
;
Lanthanum uranium oxide (1.2/0.8/4) - R~III~
;
_space_group_IT_number           166
_symmetry_cell_setting           trigonal
_symmetry_space_group_name_Hall  '-R 3 2"'
_symmetry_space_group_name_H-M   'R -3 m :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   3.94275(5)
_cell_length_b                   3.94275(5)
_cell_length_c                   18.87889(30)
_cell_volume                     254.2
_refine_ls_R_factor_all          0.037
_cod_original_sg_symbol_H-M      'R -3 m H'
_cod_original_formula_sum        'La1.2 O4 U.8'
_cod_database_code               1006067
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_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
loop_
_atom_type_symbol
_atom_type_oxidation_number
La3+ 3.000
U6+ 5.500
O2- -2.000