data_global _chemical_name_mineral 'Billietite' 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 Note: y-coordinate of O601u atom changed to make calculated bond lengths match those published ; _database_code_amcsd 0001133 _chemical_compound_source 'Shinkolobwe mine, Shaba, Zaire' _chemical_formula_sum 'U6 Ba O23' _cell_length_a 12.0720 _cell_length_b 30.167 _cell_length_c 7.1455 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2602.220 _exptl_crystal_density_diffrn 4.935 _symmetry_space_group_name_H-M 'P b n 21' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-x,1/2+y,z' '1/2+x,1/2-y,1/2+z' '-x,-y,1/2+z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_U_iso_or_equiv U1 0.44426 0.25322 0.00450 ? U2 0.25251 0.26419 0.43760 ? U3 0.06112 0.25716 0.00750 ? U4 0.43954 -0.00465 -0.01410 ? U5 0.06074 -0.00560 -0.00810 ? U6 0.25071 -0.01161 0.52910 ? Ba 0.36280 0.12391 -0.31200 ? O101u 0.46800 0.30840 0.02600 0.00600 O102u 0.41600 0.19490 -0.00400 0.00600 O201u 0.25500 0.32480 0.42300 0.00600 O202u 0.25500 0.20460 0.46000 0.00600 O301u 0.03100 0.31160 0.02300 0.00600 O302u 0.07500 0.19970 -0.00700 0.00600 O401u 0.38700 0.05190 -0.03100 0.00600 O402u 0.49400 -0.06330 -0.02100 0.00600 O501u 0.10900 0.05040 0.04100 0.00600 O502u 0.01400 -0.06260 -0.05000 0.00600 O601u 0.25800 0.04490 0.43800 0.00600 O602u 0.24000 -0.06720 0.56100 0.00600 O1h 0.39100 0.26820 0.70300 0.01000 O2o 0.41100 0.25200 0.34900 0.00400 O3o 0.09500 0.24790 0.30900 0.00400 O4h 0.11800 0.26980 0.69100 0.01000 O5h 0.27000 0.25710 0.01700 0.01000 O11o 0.41800 -0.01440 0.67600 0.00400 O12h 0.39400 -0.02680 0.32600 0.01000 O13h 0.10400 -0.02750 0.32600 0.01000 O14o 0.09000 -0.00510 0.69500 0.00400 O15h 0.25200 -0.02590 -0.08200 0.01000 O16w 0.23000 0.12210 -0.00800 0.00700 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 0.00440 0.00230 0.00300 0.00110 -0.00040 0.00110 U2 0.00640 0.00390 0.00510 -0.00060 0.00230 0.00010 U3 0.00570 0.00190 0.00290 -0.00020 -0.00110 -0.00180 U4 0.00580 0.00590 0.00390 0.00060 -0.00010 -0.00030 U5 0.00530 0.00620 0.00340 -0.00010 -0.00070 0.00030 U6 0.00440 0.00390 0.00670 0.00010 0.00090 0.00060 Ba 0.01330 0.01130 0.01610 -0.00060 0.00060 0.00190