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#$Date: 2016-02-13 13:50:18 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176428 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/77/1537761.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_1537761
loop_
_publ_author_name
'Beck, H.P.'
'Dausch, W.'
_publ_section_title
;
 The refinement of alpha-U Se2, twinning in a Sr Br2-type structure
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              32
_journal_page_last               39
_journal_volume                  80
_journal_year                    1989
_chemical_formula_sum            'Se20 U10.2'
_chemical_name_systematic        '(U Se2)10.66'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  'P 4ab 2n -1ab'
_symmetry_space_group_name_H-M   'P 4/n c c :1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   10.7
_cell_length_b                   10.7
_cell_length_c                   6.6
_cell_volume                     755.634
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Beck_JSSCBI_1989_1951.cif
_cod_data_source_block           Se20U10.2
_cod_original_sg_symbol_Hall     '-P 4a 2ac (x-1/4,y+1/4,z)'
_cod_database_code               1537761
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z
-x,-y,z
y+1/2,-x+1/2,z
x+1/2,-y+1/2,-z+1/2
y,x,-z+1/2
-x+1/2,y+1/2,-z+1/2
-y,-x,-z+1/2
-x+1/2,-y+1/2,-z
y,-x,-z
x+1/2,y+1/2,-z
-y,x,-z
-x,y,z-1/2
-y+1/2,-x+1/2,z-1/2
x,-y,z-1/2
y+1/2,x+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
Se1 Se 0 0 0 1 0.0
U1 U 0 0.5 0.1435 0.55 0.0
Se2 Se 0.2909 0.088 0.1174 1 0.0
U2 U 0.8441 0.8441 0.25 1 0.0
