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#$Date: 2015-10-10 14:24:38 +0300 (Sat, 10 Oct 2015) $
#$Revision: 165453 $
#$URL: svn://www.crystallography.net/cod/cif/2/10/69/2106971.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_2106971
loop_
_publ_author_name
'Greaves, C.'
'Fender, B.E.F.'
_publ_section_title
;
 The Structure of alpha-U O3 by Neutron and Electron Diffraction
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3609
_journal_page_last               3614
_journal_volume                  28
_journal_year                    1972
_chemical_formula_sum            'O2.634 U0.878'
_chemical_name_systematic        'U.878 O2.634'
_space_group_IT_number           21
_symmetry_space_group_name_Hall  'C 2 2'
_symmetry_space_group_name_H-M   'C 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            3
_cell_length_a                   6.84
_cell_length_b                   43.45
_cell_length_c                   4.157
_cell_volume                     1235.452
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Greaves_ACBCAR_1972_1763.cif
_cod_data_source_block           O2.634U0.878
_cod_database_code               2106971
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
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 0.308 0.5 0.378 0.0
O1 O-2 0 0 0.5 0.378 0.0
O6 O-2 0.168 0.128 0 0.489 0.0
O4 O-2 0 0.308 0.395 0.061 0.0
U1 U+6 0 0 0 0.439 0.0
U2 U+6 0 0.308 0 0.439 0.0
O3 O-2 0 0 0.395 0.061 0.0
O5 O-2 0 0.5 0 0.489 0.0
