data_global _chemical_name_mineral 'Mottramite' loop_ _publ_author_name 'Cooper M A' 'Hawthorne F C' _journal_name_full 'The Canadian Mineralogist' _journal_volume 33 _journal_year 1995 _journal_page_first 1119 _journal_page_last 1124 _publ_section_title ; The crystal structure of mottramite, and the nature of Cu=Zn solid solution in the mottramite-descloizite series ; _database_code_amcsd 0005468 _chemical_formula_sum 'Cu Pb V H O5' _cell_length_a 7.667 _cell_length_b 6.053 _cell_length_c 9.316 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 432.340 _exptl_crystal_density_diffrn 6.187 _symmetry_space_group_name_H-M 'P n m a' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,z' '-x,1/2+y,-z' '1/2-x,1/2+y,1/2+z' '1/2+x,1/2-y,1/2-z' '1/2+x,y,1/2-z' '1/2-x,-y,1/2+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 Cu 0.50000 0.00000 0.00000 ? Pb 0.13186 0.25000 0.17374 ? V 0.87780 0.75000 0.19390 ? H 0.71000 0.25000 -0.02000 0.02000 O1 0.88470 0.50700 0.29540 ? O2 0.05300 0.75000 0.08500 ? O3 0.70300 0.75000 0.08100 ? O-h 0.63700 0.25000 0.06300 ? 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 0.01810 0.01770 0.01270 0.00010 0.00130 -0.00110 Pb 0.01680 0.02760 0.01420 0.00000 0.00020 0.00000 V 0.01500 0.01450 0.01190 0.00000 0.00090 0.00000 O1 0.01990 0.01720 0.02160 -0.00540 -0.00130 0.00110 O2 0.01700 0.02990 0.02260 0.00000 0.00530 0.00000 O3 0.01310 0.01840 0.01590 0.00000 -0.00110 0.00000 O-h 0.02110 0.00520 0.01470 0.00000 -0.00160 0.00000