data_global _amcsd_formula_title 'U8Cs2Se4Ni3O48(H2O)4' loop_ _publ_author_name 'Wylie E M' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 50 _journal_year 2012 _journal_page_first 147 _journal_page_last 157 _publ_section_title ; Crystal structures of six new uranyl selenate and selenite compounds and their relationship with uranyl mineral structures Note: Compound 1 ; _database_code_amcsd 0019085 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'U4 Cs Se2 Ni1.5 O26 H4' _cell_length_a 8.755 _cell_length_b 14.228 _cell_length_c 17.927 _cell_angle_alpha 90 _cell_angle_beta 103.739 _cell_angle_gamma 90 _cell_volume 2169.203 _exptl_crystal_density_diffrn 5.362 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy _atom_site_U_iso_or_equiv U1 0.41426 0.98154 0.33235 1.00000 0.00570 U2 -0.08489 0.01843 0.33252 1.00000 0.00600 Cs1 -0.03720 0.75412 0.50577 0.50000 0.02710 Se1 0.25080 0.98791 0.50012 1.00000 0.00990 Ni1 0.50000 0.75090 0.25000 0.50000 0.00440 Ni2 -0.07630 0.75010 0.36253 0.50000 0.01550 O1 0.35290 0.00580 0.20630 1.00000 0.01300 O2 0.18310 0.91810 0.55830 1.00000 0.01200 O3 0.42050 0.10430 0.36440 1.00000 0.00900 O4 0.11750 0.05730 0.44850 1.00000 0.01500 O5 -0.08040 0.89560 0.36410 1.00000 0.01400 O6 0.38430 0.05700 0.55200 1.00000 0.01400 O7 0.31720 0.92010 0.44130 1.00000 0.01300 O8 -0.14600 0.99450 0.20630 1.00000 0.00800 O9 0.15600 0.74620 0.37570 1.00000 0.08400 Wat10 -0.30390 0.75950 0.33600 1.00000 0.01800 O11 -0.09400 0.74900 0.23930 0.50000 0.02800 O12 0.41770 0.85590 0.31250 1.00000 0.01100 O13 -0.08610 0.14440 0.31200 1.00000 0.01200 O14 -0.09800 0.75500 0.47700 0.50000 0.06500 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 U1 0.00520 0.00750 0.00420 -0.00187 0.00060 -0.00140 U2 0.00530 0.00770 0.00460 -0.00204 0.00060 -0.00095 Cs1 0.04550 0.00920 0.02560 0.01470 0.00620 -0.00730 Se1 0.00620 0.01690 0.00630 0.00230 0.00120 0.00290 Ni1 0.00830 0.00210 0.00390 0.00000 0.00340 0.00000 Ni2 0.01680 0.01110 0.01940 -0.00200 0.00540 -0.00400