data_global _chemical_name_mineral 'Althupite' loop_ _publ_author_name 'Piret P' 'Deliens M' _journal_name_full 'Bulletin de Mineralogie' _journal_volume 110 _journal_year 1987 _journal_page_first 65 _journal_page_last 72 _publ_section_title ; Les phosphates d'uranyle et d'aluminium de Kobokobo IX. L'althupite AlTh(UO2)[(UO2)3O(OH)PO4)2]2(OH)3*15H2O, nouveau mineral; proprietes et structure cristalline Note: Sample is form Kobokobo, Kivu, Zaire ; _database_code_amcsd 0012087 _chemical_formula_sum 'U7 Th Al P4 O52 H35' _cell_length_a 10.953 _cell_length_b 18.567 _cell_length_c 13.504 _cell_angle_alpha 72.64 _cell_angle_beta 68.20 _cell_angle_gamma 84.21 _cell_volume 2433.537 _exptl_crystal_density_diffrn 3.980 _symmetry_space_group_name_H-M 'P -1' loop_ _space_group_symop_operation_xyz 'x,y,z' '-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 0.50000 0.00000 0.50000 0.02140 U2 0.50000 0.50000 0.50000 0.01910 U3 0.43930 0.24730 0.02800 0.01870 U4 0.52610 0.04690 0.18770 0.01950 U5 0.51230 0.20500 0.30500 0.01930 U6 0.43550 0.46080 0.82940 0.01990 U7 0.43420 0.29350 0.71270 0.01750 U8 0.13070 0.38810 0.38790 0.02950 Th9 0.81780 0.07280 0.69640 0.02520 Al10 0.01700 0.07500 0.41800 0.03000 P11 0.54700 0.13300 0.59000 0.01600 P12 0.50200 0.11600 0.90100 0.02300 P13 0.41200 0.38900 0.13100 0.02100 P14 0.45200 0.36500 0.41400 0.01900 O15 0.33100 0.02000 0.53400 0.04000 O16 0.66200 0.46900 0.48200 0.01400 O17 0.60600 0.27600 -0.05200 0.06400 O18 0.27200 0.22400 0.10000 0.07400 O19 0.34800 0.01400 0.24300 0.03900 O20 0.70000 0.06500 0.11700 0.09300 O21 0.33900 0.19500 0.39100 0.05900 O22 0.68300 0.21700 0.22300 0.07300 O23 0.27400 0.49200 0.87200 0.00400 O24 0.59600 0.42500 0.78700 ? O25 0.60000 0.31500 0.68500 0.05500 O26 0.26600 0.27400 0.74500 0.05800 O27 0.10100 0.29500 0.39400 0.05200 O28 0.14200 0.48100 0.39300 0.03600 O29 0.53100 0.08000 0.33100 0.03100 O30 0.44500 -0.14000 0.53000 0.02600 O31 0.47100 0.06000 0.65800 0.01200 O32 0.49800 0.44400 0.34800 0.02600 O33 0.45800 0.36300 0.52400 0.03400 O-H34 0.40000 0.42600 0.68200 0.02500 O35 0.48200 0.16900 0.17300 0.03200 O36 0.44400 0.30600 0.17800 0.04400 O37 0.40400 0.39100 0.02000 0.02200 O-H38 0.37200 0.32900 -0.11900 0.01900 O39 0.43700 0.19000 -0.13200 0.02200 O40 0.49400 0.11200 0.01400 0.01800 O41 0.42900 0.04900 -0.09900 0.02600 O42 0.54700 0.30700 0.35900 0.02400 O43 0.47500 0.55800 0.88700 0.02900 O44 0.47800 0.20000 0.62800 0.03300 O45 0.69100 0.12900 0.59300 0.03200 O46 0.64900 0.11500 0.82300 0.03300 O47 0.28000 0.40800 0.21500 0.03000 O48 0.30800 0.35000 0.42700 0.03400 Wat49 -0.11000 0.39400 0.49300 0.05000 Wat50 0.01900 0.44200 0.24800 0.12800 Wat51 0.08100 0.34400 0.59200 0.05400 Wat52 0.79300 0.34400 0.90000 0.04900 Wat53 0.84000 0.22000 0.64400 0.05800 Wat54 0.98200 0.11200 0.75800 0.05600 O-H55 0.96100 -0.03300 0.69400 0.03800 O-H56 0.99000 0.12200 0.52900 0.03400 O-H57 0.88500 0.00500 0.53300 0.03600 Wat58 0.88600 0.14400 0.37300 0.03600 Wat59 0.15600 0.14700 0.32300 0.02600 Wat60 0.13300 0.43200 0.72300 0.05000 Wat61 0.20400 0.19400 0.60900 0.06600 Wat62 0.77800 0.30100 0.42000 0.08700 Wat63 0.09800 0.34700 0.95300 0.13000 Wat64 0.86800 0.18300 0.92500 0.13900 Wat65 0.16500 0.66600 0.24700 0.09400 Wat66 0.75300 0.43100 0.93800 0.11100 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 0.02940 0.01640 0.02030 0.00220 -0.01250 -0.00390 U2 0.02600 0.01290 0.01860 0.00210 -0.00590 -0.00820 U3 0.02960 0.01100 0.01500 0.00160 -0.00860 -0.00230 U4 0.03190 0.01160 0.01490 0.00090 -0.00860 -0.00330 U5 0.03330 0.01100 0.01590 0.00400 -0.01220 -0.00430 U6 0.03340 0.01010 0.01660 0.00000 -0.01060 -0.00230 U7 0.02820 0.00990 0.01560 0.00380 -0.01000 -0.00400 U8 0.02770 0.02690 0.03610 0.00760 -0.01210 -0.01370 Th9 0.02290 0.02790 0.02590 0.00330 -0.00730 -0.01200