#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/2/31/03/2310373.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_2310373
loop_
_publ_author_name
'Debets, P.C.'
_publ_section_title
;
 The Structure of beta - U O3
;
_journal_name_full               'Acta Crystallographica (1,1948-23,1967)'
_journal_page_first              589
_journal_page_last               593
_journal_volume                  21
_journal_year                    1966
_chemical_formula_sum            'O3 U'
_chemical_name_systematic        'U O3'
_space_group_IT_number           4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90
_cell_angle_beta                 99.03
_cell_angle_gamma                90
_cell_formula_units_Z            10
_cell_length_a                   10.34
_cell_length_b                   14.33
_cell_length_c                   3.91
_cell_volume                     572.173
_citation_journal_id_ASTM        ACCRA9
_cod_data_source_file            Debets_ACCRA9_1966_1059.cif
_cod_data_source_block           O3U1
_cod_original_formula_sum        'O3 U1'
_cod_database_code               2310373
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,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
U4 U+6 0.169 0.229 0.806 1 0.0
U3 U+6 0.667 0.997 0.332 1 0.0
O7 O-2 0.948 0.851 0.093 1 0.0
O5 O-2 0.858 0.019 0.441 1 0.0
O4 O-2 0.677 0.018 0.885 1 0.0
O12 O-2 0.11 0.209 0.434 1 0.0
O15 O-2 0.836 0.235 0.912 1 0.0
U5 U+6 0.676 0.256 0.864 1 0.0
O6 O-2 0.035 0.112 0.897 1 0.0
O8 O-2 0.239 0.067 0.54 1 0.0
O3 O-2 0.456 0.982 0.208 1 0.0
O9 O-2 0.345 0.824 0.668 1 0.0
O11 O-2 0.686 0.866 0.351 1 0.0
O1 O-2 0.061 0.968 0.511 1 0.0
O2 O-2 0.198 0.925 0.102 1 0.0
U2 U+6 0.327 0.97 0.671 1 0.0
U1 U+6 0.989 0 0 1 0.0
O13 O-2 0.292 0.227 0.134 1 0.0
O14 O-2 0.469 0.201 0.853 1 0.0
O10 O-2 0.63 0.14 0.292 1 0.0
