data_global _amcsd_formula_title 'U7Se4Cs2O39' 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 4 ; _database_code_amcsd 0019088 _chemical_compound_source 'Synthetic' _chemical_formula_sum 'U7 Se4 Cs2 O37.75 H9.5' _cell_length_a 9.1381 _cell_length_b 15.0098 _cell_length_c 15.1732 _cell_angle_alpha 90 _cell_angle_beta 91.1710 _cell_angle_gamma 90 _cell_volume 2080.737 _exptl_crystal_density_diffrn 4.567 _symmetry_space_group_name_H-M 'P 1 21/m 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+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 0.80626 0.01656 0.45525 1.00000 0.02585 U2 0.67936 -0.04146 0.17276 1.00000 0.03230 U3 0.06253 -0.00624 0.26598 1.00000 0.03680 U4 0.00000 0.00000 0.00000 1.00000 0.04410 Se1 0.56625 0.01501 0.64587 1.00000 0.02460 Se2 0.34420 0.04055 0.08076 1.00000 0.03660 Cs1 0.33870 -0.25000 0.16790 0.50000 0.04830 Cs2A 0.14520 0.25000 0.39630 0.50000 0.05080 Cs2B 0.24800 0.25000 0.37960 0.25000 0.10000 Cs3 0.83640 0.25000 0.16190 0.25000 0.05700 Cs4 0.62510 0.25000 0.30260 0.25000 0.05200 Cs5 -0.00180 -0.25000 0.12190 0.25000 0.05400 O1 0.44780 -0.04850 0.09680 1.00000 0.02600 O2 0.49700 0.08430 0.71670 1.00000 0.03100 O3 0.75600 -0.09420 0.48150 1.00000 0.04000 O4 0.27020 0.02350 -0.02010 1.00000 0.04100 O5 0.44040 -0.05110 0.60780 1.00000 0.03400 O6 0.04620 -0.02100 0.41880 1.00000 0.04500 O7 0.69120 -0.04770 0.69330 1.00000 0.03200 O8 0.64230 0.07300 0.56800 1.00000 0.03300 O9 0.84170 0.12940 0.43150 1.00000 0.04100 O10 0.65140 0.07420 0.18460 1.00000 0.04300 Wat11 0.48000 0.25000 0.49270 1.00000 0.08000 O12 0.81590 -0.04410 0.30840 1.00000 0.04400 O13 0.01780 0.10640 0.26650 1.00000 0.06000 O14 0.91800 -0.02280 0.14210 0.50000 0.02400 Wat15 0.95400 0.25000 0.58170 1.00000 0.07900 O16 0.18680 0.01600 0.12930 1.00000 0.06300 O17 0.97040 0.11440 0.01410 1.00000 0.06600 O18 0.11690 -0.11970 0.26720 1.00000 0.06300 O19 0.69400 -0.15650 0.16080 1.00000 0.07200 Wat20 0.22500 0.25000 0.65870 1.00000 0.08500 Wat21 0.35000 -0.25000 0.19060 0.50000 0.00100 Wat22 0.69900 0.25000 0.28820 1.00000 0.04200 Wat23 0.81900 0.25000 0.14530 0.25000 0.01100 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 0.01460 0.04120 0.02190 -0.00080 0.00480 -0.00440 U2 0.02210 0.05680 0.01810 0.01460 0.00630 0.00870 U3 0.01320 0.08090 0.01630 0.00160 0.00070 -0.01170 U4 0.01500 0.09880 0.01860 -0.00710 -0.00020 0.01710 Se1 0.01210 0.04820 0.01350 0.00010 0.00150 -0.00040 Se2 0.01830 0.07120 0.02020 0.00460 -0.00360 -0.00590 Cs1 0.04200 0.04100 0.06300 0.00000 0.00800 0.00000 Cs2A 0.05700 0.03600 0.05900 0.00000 -0.00900 0.00000 Cs2B 0.21200 0.02700 0.05900 0.00000 -0.05000 0.00000 Cs3 0.06700 0.03300 0.07100 0.00000 -0.03700 0.00000 Cs4 0.09400 0.02400 0.03800 0.00000 0.00100 0.00000 Cs5 0.06300 0.03900 0.06100 0.00000 0.01000 0.00000