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#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310376.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2310376
loop_
_publ_author_name
'Engmann, R.'
'de Wolff, P.M.'
_publ_section_title
;
 The crystal structure of gamma-U O3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              993
_journal_page_last               996
_journal_volume                  16
_journal_year                    1963
_chemical_formula_sum            'O3 U'
_chemical_name_systematic        'U O3'
_space_group_IT_number           141
_symmetry_space_group_name_Hall  '-I 4bd 2'
_symmetry_space_group_name_H-M   'I 41/a m d :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            16
_cell_length_a                   6.89
_cell_length_b                   6.89
_cell_length_c                   19.94
_cell_volume                     946.594
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Engmann_ACCRA9_1963_1719.cif
_cod_data_source_block           O3U1
_cod_original_cell_volume        946.5937
_cod_original_formula_sum        'O3 U1'
_cod_database_code               2310376
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/4,x+3/4,z+1/4
-x+1/2,-y,z+1/2
y+1/4,-x+1/4,z+3/4
x,-y,-z
y+1/4,x+3/4,-z+1/4
-x+1/2,y,-z+1/2
-y+1/4,-x+1/4,-z+3/4
-x,-y,-z
y-1/4,-x-3/4,-z-1/4
x-1/2,y,-z-1/2
-y-1/4,x-1/4,-z-3/4
-x,y,z
-y-1/4,-x-3/4,z-1/4
x-1/2,-y,z-1/2
y-1/4,x-1/4,z-3/4
x+1/2,y+1/2,z+1/2
-y+3/4,x+5/4,z+3/4
-x+1,-y+1/2,z+1
y+3/4,-x+3/4,z+5/4
x+1/2,-y+1/2,-z+1/2
y+3/4,x+5/4,-z+3/4
-x+1,y+1/2,-z+1
-y+3/4,-x+3/4,-z+5/4
-x+1/2,-y+1/2,-z+1/2
y+1/4,-x-1/4,-z+1/4
x,y+1/2,-z
-y+1/4,x+1/4,-z-1/4
-x+1/2,y+1/2,z+1/2
-y+1/4,-x-1/4,z+1/4
x,-y+1/2,z
y+1/4,x+1/4,z-1/4
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
U2 U+6 0 0.25 0.06 1 0.0
O3 O-2 0 0.039 0.264 1 0.0
U1 U+6 0 0 0.5 1 0.0
O1 O-2 0 0.547 0.07 1 0.0
O2 O-2 0 0.943 0.406 1 0.0
