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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/2/10/68/2106847.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_2106847
loop_
_publ_author_name
'Brandenburg, N.P.'
'Loopstra, B.O.'
_publ_section_title
;
 beta-uranyl sulphate and uranyl selenate
;
_journal_name_full               'Acta Crystallographica B (24,1968-38,1982)'
_journal_page_first              3734
_journal_page_last               3736
_journal_volume                  34
_journal_year                    1978
_chemical_formula_sum            'O6 Se U'
_chemical_name_systematic        'U O2 Se O4'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 103.79
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   6.909
_cell_length_b                   5.525
_cell_length_c                   13.318
_cell_volume                     493.724
_citation_journal_id_ASTM        ACBCAR
_cod_data_source_file            Brandenburg_ACBCAR_1978_983.cif
_cod_data_source_block           O6Se1U1
_cod_original_cell_volume        493.7242
_cod_original_formula_sum        'O6 Se1 U1'
_cod_database_code               2106847
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,y+1/2,-z+1/2
-x,-y,-z
x,-y-1/2,z-1/2
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
O3 O-2 0.061 0.852 0.6 1 0.0
O4 O-2 0.175 0.598 0.781 1 0.0
O5 O-2 0.581 0.484 0.784 1 0.0
O1 O-2 0.65 0.711 0.613 1 0.0
O2 O-2 0.3 0.878 0.484 1 0.0
U1 U+6 0.338 0.709 0.648 1 0.0
O6 O-2 0.266 0.422 0.59 1 0.0
Se1 Se+6 0.201 0.44 0.887 1 0.0
