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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/05/2310514.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_2310514
loop_
_publ_author_name
'Willis, B.T.M.'
_publ_section_title
;
 The defect structure of hyper-stoichiometric uranium dioxide
;
_journal_name_full               'Acta Crystallographica A (24,1968-38,1982)'
_journal_page_first              88
_journal_page_last               90
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'O2.12 U'
_chemical_name_systematic        'U O2.12'
_space_group_IT_number           225
_symmetry_space_group_name_Hall  '-F 4 2 3'
_symmetry_space_group_name_H-M   'F m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   5.4411
_cell_length_b                   5.4411
_cell_length_c                   5.4411
_cell_volume                     161.087
_citation_journal_id_ASTM        ACACBN
_cod_data_source_file            Willis_ACACBN_1978_1026.cif
_cod_data_source_block           O2.12U1
_cod_original_cell_volume        161.0869
_cod_original_formula_sum        'O2.12 U1'
_cod_database_code               2310514
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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
O2 O-2 0.5 0.62 0.62 0.007 0.0
U1 U+4 0 0 0 1 0.0
O3 O-2 0.59 0.59 0.59 0.02 0.0
O1 O-2 0.267 0.267 0.267 0.234 0.0
