data_global _chemical_name_mineral 'Schoepite' loop_ _publ_author_name 'Finch R J' 'Cooper M A' 'Hawthorne F C' 'Ewing R C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 34 _journal_year 1996 _journal_page_first 1071 _journal_page_last 1088 _publ_section_title ; The crystal structure of schoepite, [(UO2)8O2(OH)12](H2O)12 ; _database_code_amcsd 0005517 _chemical_formula_sum 'U4 O21 H18' _cell_length_a 14.337 _cell_length_b 16.813 _cell_length_c 14.731 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 3550.878 _exptl_crystal_density_diffrn 4.887 _symmetry_space_group_name_H-M 'P 21 c a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,-y,1/2+z' '1/2+x,y,1/2-z' '1/2+x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U1 0.25910 0.51320 0.75830 0.01110 U2 0.02760 0.37750 0.76280 0.01360 U3 0.27920 0.74510 0.74740 0.01230 U4 -0.00080 0.61270 0.74970 0.01220 U5 0.27970 0.01340 0.74060 0.01000 U6 0.01170 0.87720 0.76310 0.00710 U7 0.26070 0.24500 0.75200 0.00840 U8 0.03980 0.11320 0.75000 0.00840 O1 0.27860 0.50160 0.64020 0.01500 O2 0.24730 0.52180 0.87910 0.00770 O3 0.02290 0.34090 0.64900 0.01600 O4 0.03020 0.41560 0.87240 0.01090 O5 0.23440 0.73810 0.63670 0.02150 O6 0.32620 0.76180 0.85930 0.01130 O7 0.01620 0.64870 0.63830 0.04290 O8 -0.00410 0.58150 0.86890 0.00990 O9 0.30630 0.02210 0.62480 0.01980 O10 0.25750 -0.00920 0.85590 0.02360 O11 0.01240 0.90670 0.88030 0.01420 O12 0.00570 0.84460 0.64840 0.01510 O13 0.22490 0.25330 0.63640 0.02560 O14 0.29800 0.23520 0.86850 0.01820 O15 0.04310 0.08000 0.86160 0.02030 O16 0.03450 0.14250 0.63320 0.00630 O17 -0.15300 0.62650 0.74080 0.01030 O18 0.19850 0.12050 0.76190 0.01030 O-H1 0.34120 0.88030 0.70360 0.00940 O-H2 0.41800 0.48140 0.78850 0.01110 O-H3 0.16120 0.64570 0.78020 0.01230 O-H4 0.15780 0.82700 0.79480 0.01410 O-H5 -0.03720 0.74290 0.79850 0.00840 O-H6 0.10260 0.50200 0.70410 0.00870 O-H7 0.20830 0.37510 0.78450 0.00940 O-H8 0.12220 -0.02090 0.70530 0.01110 O-H9 0.38350 0.15010 0.70990 0.01230 O-H10 0.38810 0.32130 0.69800 0.01410 O-H11 0.09070 0.24900 0.80530 0.00840 O-H12 0.44220 -0.00100 0.78110 0.00870 Wat1 0.32210 -0.12260 0.52270 0.02910 Wat2 0.40910 0.51970 0.47900 0.01890 Wat3 0.17030 0.34990 0.47610 0.01690 Wat4 0.18740 0.13240 0.48370 0.02760 Wat5 0.48220 0.74690 0.51390 0.04200 Wat6 0.10380 0.50380 0.53410 0.02090 Wat7 0.24340 0.61840 0.48110 0.03300 Wat8 0.14510 -0.04230 0.52250 0.05010 Wat9 0.38710 0.16000 0.52950 0.04560 Wat10 0.35950 0.35280 0.51450 0.03290 Wat11 0.08950 0.76120 0.48620 0.04930 Wat12 0.43070 0.00660 0.46640 0.01940