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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/40/1534066.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_1534066
loop_
_publ_author_name
'Locock, A.J.'
'Burns, P.C.'
_publ_section_title
;
 Structures and syntheses of framework triuranyl diarsenate hydrates
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              18
_journal_page_last               26
_journal_volume                  176
_journal_year                    2003
_chemical_formula_sum            'As2 H8 O18 U3'
_chemical_name_systematic        '(U O2) ((U O2) (As O4))2 (H2 O)4'
_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                 104.576
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.238
_cell_length_b                   7.152
_cell_length_c                   21.941
_cell_volume                     1706.731
_citation_journal_id_ASTM        JSSCBI
_cod_data_source_file            Locock_JSSCBI_2003_227.cif
_cod_data_source_block           H8As2O18U3
_cod_original_formula_sum        'H8 As2 O18 U3'
_cod_database_code               1534066
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
O6 O-2 0.0618 0.2559 0.1512 1 0.0
U2 U+6 0.2998 0.7415 0.1707 1 0.0
O2 O-2 0.3943 0.7585 0.1179 1 0.0
O11 O-2 -0.0796 0.732 0.0874 1 0.0
O10 O-2 0.3107 0.0676 0.1862 1 0.0
O18 O-2 0.37 0.867 -0.0088 1 0.0
O12 O-2 0.3338 0.228 -0.0799 1 0.0
O4 O-2 0.0126 0.746 -0.0188 1 0.0
O9 O-2 0.1453 0.5664 0.089 1 0.0
O1 O-2 0.2603 0.2282 0.05 1 0.0
O8 O-2 0.1351 -0.0854 0.0944 1 0.0
O5 O-2 0.2041 0.7219 0.2229 1 0.0
As2 As+5 0.3808 0.2494 0.2301 1 0.0
O16 O-2 0.3848 0.562 0.857 1 0.0
O17 O-2 0.215 0.609 -0.0709 1 0.0
U1 U+6 0.1609 0.241 0.1008 1 0.0
O15 O-2 0.1292 0.031 0.8174 1 0.0
O14 O-2 0.1189 0.451 0.7997 1 0.0
U3 U+6 0.2236 0.3361 0.8601 1 0.0
O7 O-2 0.3279 0.4169 0.1754 1 0.0
O3 O-2 0.5335 0.2352 0.2449 1 0.0
As1 As+5 0.0436 0.7399 0.0602 1 0.0
O13 O-2 0.3305 0.2874 0.293 1 0.0
