data_global _chemical_name_mineral 'Metatorbernite' loop_ _publ_author_name 'Calos N J' 'Kennard C H L' _journal_name_full 'Zeitschrift fur Kristallographie' _journal_volume 211 _journal_year 1996 _journal_page_first 701 _journal_page_last 702 _publ_section_title ; Crystal structure of copper bis(uranyl phosphate) octahydrate (metatobernite), Cu(UO2PO4)2*8(H2O) ; _database_code_amcsd 0011066 _chemical_compound_source 'Sonora, Mexico' _chemical_formula_sum 'Cu.5 U P O10 H8' _cell_length_a 6.950 _cell_length_b 6.950 _cell_length_c 8.638 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 417.237 _exptl_crystal_density_diffrn 3.732 _symmetry_space_group_name_H-M 'P 4/n m m' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2-y,1/2-x,z' '1/2+y,1/2+x,-z' '1/2+y,-x,-z' '1/2-y,x,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2+x,1/2+y,-z' '1/2-x,1/2-y,z' 'y,x,z' '-y,-x,-z' '-y,1/2+x,-z' 'y,1/2-x,z' '1/2-x,y,z' '1/2+x,-y,-z' '-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 Cu 0.25000 0.25000 -0.39000 0.50000 ? U 0.25000 0.25000 0.10500 1.00000 ? P 0.25000 0.75000 0.00000 1.00000 ? O1 0.25000 0.25000 -0.10400 1.00000 0.02000 O2 0.25000 0.25000 0.31500 1.00000 0.02000 Wat3 0.25000 -0.08100 0.10800 1.00000 0.04300 O4 0.52700 0.25000 -0.38800 1.00000 0.09000 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 Cu 0.01000 0.01000 0.06000 0.00000 0.00000 0.00000 U 0.00400 0.00400 0.02700 0.00000 0.00000 0.00000 P 0.01400 0.01400 0.00800 0.00000 0.00000 0.00000