data_global _amcsd_formula_title 'Cs3[(UO2)12O7(OH)13](H2O)3' loop_ _publ_author_name 'Hill F C' 'Burns P C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 37 _journal_year 1999 _journal_page_first 1283 _journal_page_last 1288 _publ_section_title ; The structure of a synthetic Cs uranyl oxide hydrate and its relationship to compreignacite ; _database_code_amcsd 0005631 _chemical_formula_sum 'U12 Cs3 O47 H19' _cell_length_a 14.1241 _cell_length_b 14.1241 _cell_length_c 22.4073 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 120 _cell_volume 3871.165 _exptl_crystal_density_diffrn 5.181 _symmetry_space_group_name_H-M 'R 3' loop_ _space_group_symop_operation_xyz 'x,y,z' '2/3+x,1/3+y,1/3+z' '1/3+x,2/3+y,2/3+z' '-y,x-y,z' '2/3-y,1/3+x-y,1/3+z' '1/3-y,2/3+x-y,2/3+z' '-x+y,-x,z' '2/3-x+y,1/3-x,1/3+z' '1/3-x+y,2/3-x,2/3+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U1 0.47576 0.33444 -0.02919 ? U2 0.35595 0.02470 -0.00859 ? U3 0.35652 0.52352 0.00675 ? U4 0.17139 0.15090 0.01209 ? Cs 0.53030 0.45900 0.16350 ? O1 0.36000 0.49300 0.08220 0.02380 O2 0.34800 0.54700 -0.06920 0.02190 O3 0.22000 0.18800 0.08600 0.02710 O4 0.11900 0.11800 -0.06000 0.02320 O5 0.45500 0.33900 0.89150 0.02360 O6 0.31100 -0.02000 -0.08440 0.02080 O7 0.33333 0.66667 0.03000 0.01540 O8 0.39500 0.06800 0.06700 0.01670 O9 0.49800 0.50400 -0.01800 0.02700 O10 0.50700 0.33100 0.04600 0.03950 O11 0.32400 0.15900 -0.02130 0.01440 O-H12 0.00000 0.00000 0.04600 0.00430 O-H13 0.16400 0.46000 0.02420 0.00910 O-H14 0.03200 0.20600 0.02700 0.01160 O-H15 0.52700 0.19800 -0.05230 0.01440 O-H16 0.28700 0.33100 -0.02190 0.02160 Wat17 0.34600 0.22100 0.19180 0.02810 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 0.00680 0.01880 0.00360 0.00130 -0.00130 U2 0.00850 0.00970 0.02310 0.00570 -0.00240 -0.00120 U3 0.00820 0.00950 0.01990 0.00480 0.00030 0.00050 U4 0.00760 0.00850 0.01640 0.00330 -0.00020 -0.00020 Cs 0.04300 0.03500 0.02140 0.01710 0.00650 0.00410