data_global _chemical_name_mineral 'Billietite' loop_ _publ_author_name 'Finch R J' 'Burns P C' 'Hawthorne F C' 'Ewing R C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 44 _journal_year 2006 _journal_page_first 1197 _journal_page_last 1205 _publ_section_title ; Refinement of the crystal structure of billietite, Ba [(UO2)6 O4 (OH)6] (H2O)8 ; _database_code_amcsd 0006120 _chemical_compound_source 'Shaba, Democratic Republic of Congo' _chemical_formula_sum 'Ba U6 O30 H6' _cell_length_a 12.0941 _cell_length_b 30.211 _cell_length_c 7.1563 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2614.732 _exptl_crystal_density_diffrn 5.211 _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 Ba 0.63786 0.87627 0.31550 0.02060 U1 0.55842 0.74671 0.00092 0.01100 U2 0.74723 0.73833 0.53910 0.01160 U3 0.93753 0.74265 0.99884 0.01080 U4 0.55865 0.00466 0.01958 0.01130 U5 0.94118 0.00557 0.01401 0.01150 U6 0.74929 0.01411 0.44810 0.01130 O1 0.52130 0.69030 0.95200 0.02000 O2 0.59900 0.80240 0.05800 0.01760 O3 0.74310 0.68040 0.59900 0.01830 O4 0.74640 0.79360 0.44500 0.01710 O5 0.97530 0.68660 0.95200 0.01690 O6 0.89930 0.79830 0.05200 0.02020 O7 0.60620 0.94770 0.03200 0.02320 O8 0.51150 0.06160 0.01100 0.01660 O9 0.89650 0.94940 0.98000 0.02300 O10 0.98350 0.06240 0.03900 0.01900 O11 0.73810 0.95380 0.47300 0.01940 O12 0.75470 0.07330 0.43200 0.01160 O-H13 0.60160 0.72380 0.32200 0.01390 O14 0.59350 0.75580 0.69100 0.01570 O15 0.90380 0.74960 0.68800 0.01070 O-H16 0.89120 0.72110 0.32200 0.01390 O-H17 0.74640 0.72440 0.96800 0.01840 O18 0.57790 0.01360 0.32600 0.01660 O-H19 0.61470 0.02100 0.69700 0.01370 O-H20 0.88800 0.02290 0.69100 0.01280 O21 0.91610 0.00430 0.32500 0.02050 O-H22 0.74920 0.02720 0.07600 0.01520 OW23 0.77390 0.87330 0.99500 0.03020 OW24 0.92200 0.63120 0.31400 0.03190 OW25 0.41290 0.88830 0.20200 0.03270 OW26 0.91790 0.11440 0.69000 0.03820 OW27 0.56450 0.63450 0.30000 0.04110 OW28 0.74190 0.62490 0.02500 0.05390 OW29 0.63400 0.86020 0.69600 0.05230 OW30 0.86400 0.87550 0.39000 0.04520 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 Ba 0.01850 0.02130 0.02200 -0.00110 0.00030 0.00050 U1 0.00930 0.01530 0.00840 -0.00030 -0.00010 -0.00010 U2 0.00790 0.01540 0.01150 -0.00010 -0.00050 0.00060 U3 0.00830 0.01560 0.00850 0.00060 -0.00010 -0.00050 U4 0.00910 0.01720 0.00760 -0.00040 -0.00050 -0.00040 U5 0.00930 0.01730 0.00790 0.00030 0.00040 -0.00050 U6 0.00670 0.01660 0.01040 0.00020 0.00000 -0.00060