#------------------------------------------------------------------------------
#$Date: 2016-01-24 07:35:36 +0200 (Sun, 24 Jan 2016) $
#$Revision: 174946 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/07/2310712.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_2310712
loop_
_publ_author_name
'Cooper, R. I.'
'Willis, B. T. M.'
_publ_section_title
;
 Refinement of the structure of β-U₄O₉
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section A'
_journal_page_first              322
_journal_page_last               325
_journal_paper_doi               10.1107/S010876730401219X
_journal_volume                  60
_journal_year                    2004
_chemical_formula_sum            'O8.938 U4'
_chemical_name_systematic        'U4 O8.938'
_space_group_IT_number           220
_symmetry_space_group_name_Hall  'I -4bd 2c 3'
_symmetry_space_group_name_H-M   'I -4 3 d'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            64
_cell_length_a                   21.805
_cell_length_b                   21.805
_cell_length_c                   21.805
_cell_volume                     10367.362
_citation_journal_id_ASTM        ACACEQ
_cod_data_source_file            Cooper_ACACEQ_2004_1195.cif
_cod_data_source_block           O8.938U4
_cod_original_cell_volume        10367.36
_cod_database_code               2310712
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/4,-x+3/4,-z+1/4
-x,-y+1/2,z
-y+3/4,x+3/4,-z+1/4
x,-y,-z+1/2
-y+1/4,-x+3/4,z+3/4
-x,y+1/2,-z+1/2
y+3/4,x+3/4,z+3/4
z,x,y
x+1/4,-z+3/4,-y+1/4
-z,-x+1/2,y
-x+3/4,z+3/4,-y+1/4
z,-x,-y+1/2
-x+1/4,-z+3/4,y+3/4
-z,x+1/2,-y+1/2
x+3/4,z+3/4,y+3/4
y,z,x
y,-z,-x+1/2
-z+1/4,-y+3/4,x+3/4
-y,z+1/2,-x+1/2
z+1/4,y+1/4,x+1/4
-y+1/2,-z,x+1/2
-z+1/4,y+1/4,-x+3/4
z+3/4,-y+1/4,-x+3/4
x+1/2,y+1/2,z+1/2
y+3/4,-x+5/4,-z+3/4
-x+1/2,-y+1,z+1/2
-y+5/4,x+5/4,-z+3/4
x+1/2,-y+1/2,-z+1
-y+3/4,-x+5/4,z+5/4
-x+1/2,y+1,-z+1
y+5/4,x+5/4,z+5/4
z+1/2,x+1/2,y+1/2
x+3/4,-z+5/4,-y+3/4
-z+1/2,-x+1,y+1/2
-x+5/4,z+5/4,-y+3/4
z+1/2,-x+1/2,-y+1
-x+3/4,-z+5/4,y+5/4
-z+1/2,x+1,-y+1
x+5/4,z+5/4,y+5/4
y+1/2,z+1/2,x+1/2
y+1/2,-z+1/2,-x+1
-z+3/4,-y+5/4,x+5/4
-y+1/2,z+1,-x+1
z+3/4,y+3/4,x+3/4
-y+1,-z+1/2,x+1
-z+3/4,y+3/4,-x+5/4
z+5/4,-y+3/4,-x+5/4
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
U6 U+4 -0.0054 0.1196 0.3696 1 0.0
U3 U+4 0.125 0.1218 0.25 1 0.0
O14 O-2 0.891 0.016 0.266 0.25 0.0
O12 O-2 0.0698 0.0612 0.3112 1 0.0
O2 O-2 0.9698 0.0079 0.3448 1 0.0
O3 O-2 0.8829 0.0948 0.3448 1 0.0
O13 O-2 0.9358 0.1858 0.4392 1 0.0
U7 U+4 -0.0016 0.1234 0.1266 1 0.0
O1 O-2 0.9698 0.0948 0.2579 1 0.0
O10 O-2 0.9389 0.1948 0.1861 1 0.0
O5 O-2 0.1875 0.1875 0.1875 1 0.0
U5 U+4 0.875 0 0.122 1 0.0
U1 U+4 0 0 0 1 0.0
O11 O-2 0.9362 0.1948 0.3112 1 0.0
O9 O-2 0.9362 0.0612 0.4448 1 0.0
O7 O-2 0.0698 0.0639 0.1861 1 0.0
O4 O-2 0.0625 0.0625 0.0625 1 0.0
U2 U+4 0.2532 0 0.25 1 0.0
O8 O-2 0.9389 0.0639 0.0552 1 0.0
O6 O-2 0.0585 0.1835 0.1915 1 0.0
U4 U+4 0.003 0 0.25 1 0.0
