data_global _amcsd_formula_title 'DUO2AsO4*4D2O' loop_ _publ_author_name 'Fitch A N' 'Bernard L' 'Howe A T' 'Wright A F' 'Fender B E F' _journal_name_full 'Acta Crystallographica, Section C' _journal_volume 39 _journal_year 1983 _journal_page_first 159 _journal_page_last 162 _publ_section_title ; The room-temperature structure of DUO2AsO4*4D2O by powder neutron diffraction ; _database_code_amcsd 0009970 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'D9 U O10 As' _cell_length_a 7.1615 _cell_length_b 7.1615 _cell_length_c 17.6390 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 904.653 _exptl_crystal_density_diffrn 3.606 _symmetry_space_group_name_H-M 'P 4/n c c' loop_ _space_group_symop_operation_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