#------------------------------------------------------------------------------
#$Date: 2015-01-27 20:58:39 +0100 (Tue 27 de Jan de 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008066.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_1008066
loop_
_publ_author_name
'Bachmann, M'
'Bertaut, E F'
_publ_section_title              'Structure du nouveau compose U Fe O₄'
_journal_coden_ASTM              BUFCAE
_journal_name_full
;
Bulletin de la Societe Francaise de Mineralogie et de Cristallographie
(72,1949-100,1977)
;
_journal_page_first              257
_journal_page_last               258
_journal_volume                  90
_journal_year                    1967
_chemical_formula_structural     'U Fe O4'
_chemical_formula_sum            'Fe O4 U'
_chemical_name_systematic        'Uranium(VI) iron oxide'
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      60
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   4.888
_cell_length_b                   11.937
_cell_length_c                   5.11
_cell_volume                     298.2
_refine_ls_R_factor_all          0.018
_cod_database_code               1008066
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-x,1/2-y,1/2+z
1/2+x,1/2-y,-z
-x,y,1/2-z
-x,-y,-z
1/2+x,1/2+y,1/2-z
1/2-x,1/2+y,z
x,-y,1/2+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
U1 U5+ 4 c 0. 0.165 0.25 1. 0 d
Fe1 Fe3+ 4 c 0. 0.441 0.25 1. 0 d
O1 O2- 8 d 0.754 0.449 0.575 1. 0 d
O2 O2- 8 d 0.783 0.308 0.083 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
U5+ 5.000
Fe3+ 3.000
O2- -2.000
