#------------------------------------------------------------------------------
#$Date: 2008-03-10 10:25:41 +0200 (Mon, 10 Mar 2008) $
#$Revision: 255 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9007703.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_9007703
loop_
_publ_author_name
'Fitch A N'
'Bernard L'
'Howe A T'
'Wright A F'
'Fender B E F'
_publ_section_title
;
 The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction
 Locality: synthetic
;
_journal_name_full               'Acta Crystallographica, Section C'
_journal_page_first              159
_journal_page_last               162
_journal_volume                  39
_journal_year                    1983
_chemical_formula_sum            'D9 U O10 As'
_chemical_name_mineral           DUO2AsO4*4D2O
_symmetry_space_group_name_H-M   'P 4/n c c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.1615
_cell_length_b                   7.1615
_cell_length_c                   17.6390
_cell_volume                     904.653
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
1/2-y,1/2-x,1/2+z
1/2+y,1/2+x,1/2-z
1/2+y,-x,-z
1/2-y,x,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
1/2+x,1/2+y,-z
1/2-x,1/2-y,z
y,x,1/2+z
-y,-x,1/2-z
-y,1/2+x,-z
y,1/2-x,z
1/2-x,y,1/2+z
1/2+x,-y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
D3 0.40570 -0.40570 0.25000 1.00000
U 0.25000 0.25000 0.05270 1.00000
O1 0.25000 0.25000 0.15450 1.00000
O2 0.25000 0.25000 -0.04820 1.00000
As 0.75000 0.25000 0.00000 1.00000
O3 0.56810 0.20480 0.05730 1.00000
D1 0.30370 0.04040 0.31120 0.75000
D2 0.57570 0.12830 0.35560 1.00000
O4 0.14760 0.99770 0.30950 1.00000
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
D3 0.07979 0.07979 0.12665 0.02280 -0.04812 -0.04812
U 0.00785 0.00785 0.01267 0.00000 0.00000 0.00000
O1 0.02356 0.02356 0.01798 0.00000 0.00000 0.00000
O2 0.02584 0.02584 0.01519 0.00000 0.00000 0.00000
As 0.00443 0.00443 0.02153 0.00000 0.00000 0.00000
O3 0.00709 0.01874 0.02621 -0.00025 0.00519 0.00595
D1 0.19378 0.09625 0.03419 0.06713 0.01140 0.01140
D2 0.07219 0.04306 0.03800 0.01520 -0.00253 0.00253
O4 0.06839 0.12412 0.03293 -0.03673 0.01013 0.02913