data_global _chemical_name_mineral 'Ianthinite' loop_ _publ_author_name 'Burns P C' 'Finch R J' 'Hawthorne F C' 'Miller M L' 'Ewing R C' _journal_name_full 'Journal of Nuclear Materials' _journal_volume 249 _journal_year 1997 _journal_page_first 199 _journal_page_last 206 _publ_section_title ; The crystal structure of ianthinite, [U4+2(UO2)4O6(OH)4](H2O)5: a possible phase for Pu4+ incorporation during the oxidation of spent nuclear fuel ; _database_code_amcsd 0013139 _chemical_compound_source 'Shinkolobwe mine, Shaba, southern Congo' _chemical_formula_sum 'U6 O27 H22' _cell_length_a 7.178 _cell_length_b 11.473 _cell_length_c 30.39 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 2502.713 _exptl_crystal_density_diffrn 4.996 _symmetry_space_group_name_H-M 'P 21 c n' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '1/2+x,1/2+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_occupancy _atom_site_U_iso_or_equiv U1 0.00000 0.05900 0.00570 1.00000 0.04270 U2 0.01200 -0.24900 -0.01170 1.00000 0.07320 U3 0.01300 -0.55800 0.00770 1.00000 0.05520 U4 0.00800 -0.49600 0.23970 1.00000 0.00500 U5 0.00500 0.81400 0.25670 1.00000 0.00400 U6 0.01300 0.19290 0.25570 1.00000 0.00110 O1 0.08300 0.04300 0.06100 1.00000 0.00500 O2 -0.01600 0.06000 -0.05400 1.00000 0.00500 O3 0.00000 -0.52200 0.06500 1.00000 0.00500 O4 0.00800 -0.59300 -0.05000 1.00000 0.00500 O5 0.01300 0.76400 0.31300 1.00000 0.00500 O6 0.00200 0.85700 0.20000 1.00000 0.00500 O7 0.00400 0.21800 0.31400 1.00000 0.00500 O8 0.00800 0.13300 0.20100 1.00000 0.00500 O9 -0.16900 -0.11100 -0.00400 1.00000 0.00500 O10 -0.16600 -0.42000 -0.02000 1.00000 0.00500 O11 0.18600 -0.36600 0.24000 1.00000 0.00500 O12 0.83700 -0.35800 0.24100 1.00000 0.00500 O13 0.82200 -0.63300 0.24400 1.00000 0.00500 O14 0.20100 -0.63400 0.23800 1.00000 0.00500 O-Hl 0.19800 -0.12800 -0.04600 1.00000 0.00670 O-H2 0.00900 0.23400 0.03400 1.00000 0.00670 O-H3 0.21300 -0.37700 -0.04000 1.00000 0.00670 O-H4 0.05700 -0.01300 0.28500 1.00000 0.00670 Wat1 0.02500 -0.26200 -0.09500 1.00000 0.01420 Wat2 0.01400 -0.51900 0.16300 1.00000 0.01420 Wat3 -0.00100 -0.52000 0.31700 1.00000 0.01420 Wat4 0.01300 -0.23600 0.06600 1.00000 0.01420 Wat5 0.80100 0.91000 0.12600 1.00000 0.01420 Wat6 0.22600 0.89000 0.14100 1.00000 0.01420 Wat7 0.73200 0.09000 0.12100 1.00000 0.01420 Wat8 0.29100 0.12000 0.13400 1.00000 0.01420 Wat9a 0.67000 0.46900 0.13000 0.33333 0.01000 Wat9b 0.85800 -0.47000 -0.12800 0.33333 0.01000 Wat9c 0.00600 -0.59800 0.13000 0.33333 0.01000