data_global _amcsd_formula_title 'U4Cs2Se2O24' 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 3 ; _database_code_amcsd 0019087 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'U2 Cs Se (O12 H5)' _cell_length_a 8.6877 _cell_length_b 8.7164 _cell_length_c 8.9589 _cell_angle_alpha 95.9640 _cell_angle_beta 99.1550 _cell_angle_gamma 117.3180 _cell_volume 582.847 _exptl_crystal_density_diffrn 5.043 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,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 0.40983 0.45918 0.17077 1.00000 0.01212 U2 0.07798 0.11485 0.82659 1.00000 0.01215 Cs1 0.09808 0.59898 0.77091 1.00000 0.04140 Se1 0.24977 0.24396 0.49124 1.00000 0.01250 Wat1 0.27420 -0.22980 0.51050 1.00000 0.08200 Wat2 0.59210 0.03530 0.87140 1.00000 0.07300 O3 0.16900 0.11860 1.08970 1.00000 0.01660 O4 0.24680 0.37310 0.37170 1.00000 0.01780 O5 0.12400 0.25150 0.60560 1.00000 0.01860 O-H6 0.72490 0.43810 -0.12240 1.00000 0.02200 O7 -0.01530 0.24910 0.88250 1.00000 0.01960 O8 0.35820 0.34950 0.91730 1.00000 0.01600 O9 0.44940 0.30990 0.59690 1.00000 0.01890 O10 0.16040 -0.02750 0.76780 1.00000 0.02110 O11 0.17890 0.04630 0.39500 1.00000 0.02170 O12 0.53960 0.36190 0.24100 1.00000 0.02130 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 0.01020 0.01340 0.00900 0.00248 0.00244 0.00277 U2 0.01180 0.01080 0.00970 0.00203 0.00246 0.00234 Cs1 0.03340 0.03290 0.07320 0.02150 0.02480 0.02690 Se1 0.00860 0.01250 0.00870 -0.00090 0.00090 0.00170 Wat1 0.13400 0.12600 0.10300 0.12300 0.09500 0.09400 Wat2 0.03000 0.02300 0.16600 0.01100 0.03400 0.01400 O3 0.01600 0.01900 0.01100 0.00400 0.00400 0.00700 O4 0.01700 0.02000 0.01600 0.00400 0.00900 0.01400 O5 0.02100 0.02800 0.01200 0.01300 0.01000 0.01000 O-H6 0.01800 0.02600 0.02400 0.01400 -0.00100 0.00600 O7 0.01500 0.01500 0.02400 0.00200 0.01200 0.00400 O8 0.01300 0.01400 0.01000 -0.00100 0.00300 0.00000 O9 0.01000 0.02300 0.01500 0.00300 0.00100 -0.00100 O10 0.02100 0.01100 0.02700 0.00600 0.00400 -0.00100 O11 0.01700 0.01400 0.01400 -0.00400 -0.00900 -0.00100 O12 0.01900 0.01600 0.03100 0.00900 0.00900 0.00900