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#$Date: 2015-10-13 00:12:46 +0200 (mar 13 de oct de 2015) $
#$Revision: 166947 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/84/1538410.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_1538410
loop_
_publ_author_name
'Mit'kovskaya, E.V.'
'Mikhailov, Yu.N.'
'Gorbunova, Yu.E.'
'Serezhkina, L.B.'
'Serezhkin, V.N.'
_publ_section_title
;
 Crystal structure of (H3 O)3 ((U O2)3 O (O H)3 (Se O4)2)
;
_journal_name_full               'Zhurnal Neorganicheskoi Khimii'
_journal_page_first              755
_journal_page_last               759
_journal_volume                  48
_journal_year                    2003
_chemical_formula_sum            'H12 O21 Se2 U3'
_chemical_name_systematic        '(H3 O)3 ((U O2)3 O (O H)3 (Se O4)2)'
_space_group_IT_number           155
_symmetry_space_group_name_Hall  'R 3 2"'
_symmetry_space_group_name_H-M   'R 3 2 :H'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   9.567
_cell_length_b                   9.567
_cell_length_c                   22.703
_cell_volume                     1799.556
_citation_journal_id_ASTM        ZNOKAQ
_cod_data_source_file            Mitkovskaya_ZNOKAQ_2003_468.cif
_cod_data_source_block           H12O21Se2U3
_cod_database_code               1538410
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x-y,z
-x+y,-x,z
y,x,-z
-x,-x+y,-z
x-y,-y,-z
x+2/3,y+1/3,z+1/3
-y+2/3,x-y+1/3,z+1/3
-x+y+2/3,-x+1/3,z+1/3
y+2/3,x+1/3,-z+1/3
-x+2/3,-x+y+1/3,-z+1/3
x-y+2/3,-y+1/3,-z+1/3
x+1/3,y+2/3,z+2/3
-y+1/3,x-y+2/3,z+2/3
-x+y+1/3,-x+2/3,z+2/3
y+1/3,x+2/3,-z+2/3
-x+1/3,-x+y+2/3,-z+2/3
x-y+1/3,-y+2/3,-z+2/3
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
O1 O-2 0.234 0.235 0.0785 1 0.0
O4 O-2 0.26836 0 0 1 0.0
O5 O-2 0.66667 0.33333 -0.096 1 0.0
O2 O-2 0.521 0.356 0.0008 1 0.0
O3 O-2 0 0 0 1 0.0
Se1 Se+6 0.66667 0.33333 -0.0249 1 0.0
O6 O-2 0.272 -0.124 0.473 0.5 0.0
U1 U+6 0.23 0.23 0 1 0.0
