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#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: svn://www.crystallography.net/cod/cif/1/00/80/1008002.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_1008002
loop_
_publ_author_name
'Collomb, A'
'Gondrand, M'
'Lehmann, M'
'Capponi, J J'
'Joubert, J C'
_publ_section_title
;
Etude par diffractions X et neutronique d'un monocristal de U Cr₂
O₆ obtenu par synthese hydrothermale sous tres haute pression.
Determination des structures cristallographique et magnetique
;
_journal_coden_ASTM              JSSCBI
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              41
_journal_page_last               48
_journal_paper_doi               10.1016/0022-4596(76)90005-0
_journal_volume                  16
_journal_year                    1976
_chemical_formula_structural     'U CR2 O6'
_chemical_formula_sum            'Cr2 O6 U'
_chemical_name_systematic        'DICHROMIUM URANIUM(VI) OXIDE'
_space_group_IT_number           162
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      162
_symmetry_space_group_name_Hall  '-P 3 2'
_symmetry_space_group_name_H-M   'P -3 1 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            1
_cell_length_a                   4.990(1)
_cell_length_b                   4.990(1)
_cell_length_c                   4.622(1)
_cell_volume                     99.7
_refine_ls_R_factor_all          0.033
_cod_database_code               1008002
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
y-x,-x,z
y,x,z
-x,y-x,z
x-y,-y,z
-x,-y,-z
y,y-x,-z
x-y,x,-z
-y,-x,-z
x,x-y,-z
y-x,y,-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 U6+ 1 a 0. 0. 0. 1. 0 d
Cr1 Cr3+ 2 d 0.3333 0.6667 0.5 1. 0 d
O1 O2- 6 k 0.341(1) 0. 0.2664(8) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
U6+ 6.000
Cr3+ 3.000
O2- -2.000
