data_global _chemical_name_mineral 'Becquerelite' loop_ _publ_author_name 'Pagoaga M K' 'Appleman D E' 'Stewart J M' _journal_name_full 'American Mineralogist' _journal_volume 72 _journal_year 1987 _journal_page_first 1230 _journal_page_last 1238 _publ_section_title ; Crystal structures and crystal chemistry of the uranyl oxide hydrates becquerelite, billietite, and protasite ; _database_code_amcsd 0001132 _chemical_compound_source 'Shaba, Zaire' _chemical_formula_sum 'U6 Ca O30' _cell_length_a 13.8378 _cell_length_b 12.3781 _cell_length_c 14.9238 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2556.233 _exptl_crystal_density_diffrn 5.062 _symmetry_space_group_name_H-M 'P n 21 a' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,y,1/2-z' '1/2-x,1/2+y,1/2+z' '-x,1/2+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 0.08927 0.55870 0.25794 ? U2 0.12835 0.24670 0.24753 ? U3 0.09471 0.94020 0.25081 ? U4 0.37304 0.75000 0.27802 ? U5 0.34222 0.44040 0.29160 ? U6 0.34898 0.06900 0.28840 ? Ca 0.04290 0.57350 0.53410 ? O101u 0.05300 0.53700 0.37280 0.00400 O102u 0.13800 0.59000 0.14140 0.00400 O201u 0.07390 0.22500 0.36030 0.00400 O202u 0.17470 0.26000 0.13520 0.00400 O301u 0.06410 0.97800 0.36180 0.00400 O302u 0.10810 0.91400 0.13680 0.00400 O401u 0.38610 0.75600 0.39600 0.00400 O402u 0.34880 0.76300 0.15830 0.00400 O501u 0.34000 0.45200 0.40590 0.00400 O502u 0.35400 0.41700 0.17360 0.00400 O601u 0.33300 0.05000 0.40950 0.00400 O602u 0.37500 0.09900 0.16860 0.00400 O1h 0.01400 0.38400 0.20400 0.01500 O2o 0.17800 0.41600 0.28700 0.01500 O3o -0.07200 0.58300 0.22400 0.01500 O4h 0.05200 0.73800 0.27670 0.01500 O5h 0.24500 0.61700 0.30400 0.01500 O7w 0.11200 0.38900 0.51000 0.01700 O8w -0.12100 0.57900 0.47700 0.01700 O9w 0.05700 0.75400 0.47550 0.01700 O10w 0.22700 0.60700 0.50400 0.01700 O11h 0.30900 0.24800 0.31590 0.01500 O12h 0.01100 0.11200 0.19100 0.01500 O13o 0.19000 0.06800 0.26200 0.01500 O14o 0.43800 0.92300 0.26700 0.01500 O15h 0.24700 0.87300 0.30700 0.01500 O16w 0.30500 0.23000 0.50400 0.02000 O17w 0.06300 0.08900 0.02500 0.02000 O19w 0.46900 0.89400 0.51700 0.02000 O20w 0.21300 0.87100 0.49500 0.02000 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 0.00660 0.00240 0.00210 -0.00110 -0.00050 -0.00130 U2 0.00800 0.00770 0.00360 0.00050 0.00030 -0.00010 U3 0.00410 0.01270 0.00300 -0.00150 0.00070 -0.00170 U4 0.00610 0.00520 0.00260 -0.00060 -0.00050 -0.00270 U5 0.00420 0.01100 0.00400 -0.00100 -0.00140 -0.00220 U6 0.00680 0.00340 0.00280 -0.00270 0.00060 -0.00220 Ca 0.02100 0.02200 0.00700 -0.00100 -0.00200 0.00400