data_global _amcsd_formula_title 'U4Cs2Se5O25' 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 6 ; _database_code_amcsd 0019090 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'U4 Cs2 Se5 O25 H4' _cell_length_a 10.913 _cell_length_b 12.427 _cell_length_c 18.448 _cell_angle_alpha 90 _cell_angle_beta 90.393 _cell_angle_gamma 90 _cell_volume 2501.782 _exptl_crystal_density_diffrn 5.354 _symmetry_space_group_name_H-M 'P 1 21/n 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,1/2+z' '1/2-x,1/2+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 _atom_site_U_iso_or_equiv U1 0.73900 0.86175 0.17886 1.00000 0.00782 U2 0.44464 0.19852 0.01753 1.00000 0.00766 U3 0.16773 0.79090 -0.00295 1.00000 0.00795 U4 0.25014 0.23466 0.20914 1.00000 0.00751 Cs1 0.99212 0.54470 0.15661 1.00000 0.02730 Cs2 0.39356 0.52364 0.10535 1.00000 0.03000 Se1 0.14978 0.13421 0.02017 1.00000 0.00800 Se2 0.07673 0.90689 0.17951 1.00000 0.00840 Se3 0.08895 0.77475 -0.18237 1.00000 0.00970 Se4 0.59145 0.23683 0.17017 1.00000 0.00950 Se5 0.40104 0.85818 0.13498 1.00000 0.00810 O1 0.43620 0.33530 -0.01050 1.00000 0.01000 O2 0.09320 0.77720 0.21070 1.00000 0.00800 O3 0.04660 0.22560 -0.01000 1.00000 0.00900 O4 0.55240 0.83370 0.11440 1.00000 0.00700 O5 0.15350 0.89890 0.10040 1.00000 0.00900 O6 0.64130 0.23720 0.08230 1.00000 0.01000 O7 0.44320 0.26850 0.14310 1.00000 0.01000 O8 0.94370 0.82260 -0.17990 1.00000 0.01200 O9 0.17690 0.66650 0.04440 1.00000 0.01200 O10 0.21510 0.37350 0.19650 1.00000 0.01000 O11 0.25720 0.13960 -0.04650 1.00000 0.01200 O12 0.70190 0.00070 0.19050 1.00000 0.01400 O13 0.35370 0.74540 0.17740 1.00000 0.01400 O14 0.10120 0.70250 -0.10460 1.00000 0.01200 O15 0.14970 0.91350 -0.05260 1.00000 0.01300 O16 0.29060 0.09800 0.22520 1.00000 0.01400 O17 0.08020 0.66790 -0.23970 1.00000 0.00900 O18 0.77100 0.72080 0.17530 1.00000 0.01200 O19 0.24350 0.21060 0.07750 1.00000 0.01400 O20 0.36420 0.82930 0.04630 1.00000 0.01300 O21 0.64940 0.35150 0.20390 1.00000 0.01100 O22 -0.06850 0.90650 0.14990 1.00000 0.01200 O23 0.45440 0.06840 0.05440 1.00000 0.01400 Wat24 0.12190 0.44130 0.01570 1.00000 0.06000 Wat25 0.29900 0.49700 -0.08940 1.00000 0.07000 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 0.00610 0.01130 0.00610 0.00010 0.00040 0.00030 U2 0.00590 0.01130 0.00570 -0.00010 0.00030 -0.00080 U3 0.00640 0.01050 0.00690 -0.00040 -0.00040 0.00040 U4 0.00600 0.00990 0.00660 0.00010 0.00040 -0.00080 Cs1 0.02430 0.01850 0.03900 -0.00380 -0.00470 0.00430 Cs2 0.04040 0.01490 0.03500 0.00170 0.01740 0.00350 Se1 0.00570 0.01090 0.00730 -0.00010 0.00190 -0.00060 Se2 0.00670 0.01230 0.00620 0.00140 0.00050 -0.00010 Se3 0.00630 0.01320 0.00970 -0.00090 -0.00010 -0.00180 Se4 0.00660 0.01430 0.00750 0.00070 -0.00090 -0.00170 Se5 0.00570 0.01170 0.00700 -0.00080 0.00030 -0.00130