#------------------------------------------------------------------------------
#$Date: 2024-05-02 13:48:35 +0300 (Thu, 02 May 2024) $
#$Revision: 291455 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/77/9007703.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# 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_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_paper_doi               10.1107/S0108270183003960
_journal_volume                  39
_journal_year                    1983
_chemical_formula_structural     DUO2AsO4*4D2O
_chemical_formula_sum            'As D9 O10 U'
_space_group_IT_number           130
_symmetry_space_group_name_Hall  '-P 4a 2ac'
_symmetry_space_group_name_H-M   'P 4/n c c :2'
_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_formula_units_Z            4
_cell_volume                     904.653
_exptl_crystal_density_diffrn    3.606
_cod_original_sg_symbol_H-M      'P 4/n c c'
_cod_original_formula_sum        'D9 U O10 As'
_cod_database_code               9007703
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
_database_code_amcsd 0009970
