data_global _chemical_name_mineral 'Veszelyite' loop_ _publ_author_name 'Ghose S' 'Leo S R' 'Wan C' _journal_name_full 'American Mineralogist' _journal_volume 59 _journal_year 1974 _journal_page_first 573 _journal_page_last 581 _publ_section_title ; Structural chemistry of copper and zinc minerals. Part I. Veszelyite, (Cu,Zn)2ZnPO4(OH)3*2H2O: A novel type of sheet structure and crystal chemistry of copper-zinc substitution ; _database_code_amcsd 0000408 _chemical_compound_source 'Arakawa mine, Japan' _chemical_formula_sum 'Cu1.77 Zn1.23 P O9 H7' _cell_length_a 9.8275 _cell_length_b 10.2244 _cell_length_c 7.5322 _cell_angle_alpha 90 _cell_angle_beta 103.18 _cell_angle_gamma 90 _cell_volume 736.901 _exptl_crystal_density_diffrn 3.379 _symmetry_space_group_name_H-M 'P 1 21/a 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2-y,z' '1/2-x,1/2+y,-z' '-x,-y,-z' loop_ _atom_site_label _atom_site_fract_x _atom_site_fract_y _atom_site_fract_z _atom_site_occupancy Cu1 0.12991 0.07328 0.49115 0.88500 Zn1 0.12991 0.07328 0.49115 0.11500 Cu2 0.35837 0.25318 0.45957 0.88500 Zn2 0.35837 0.25318 0.45957 0.11500 Zn 0.21036 0.07612 0.06936 1.00000 P 0.41433 0.29884 0.06551 1.00000 O1 0.03230 0.15904 0.97475 1.00000 O2 0.35754 0.16623 0.98344 1.00000 O3 0.46803 0.28632 0.27424 1.00000 O4 0.29531 0.39994 0.02472 1.00000 O-H1 0.26853 0.08673 0.33723 1.00000 O-H2 0.23522 0.21782 0.62330 1.00000 O-H3 0.46392 0.40724 0.60096 1.00000 Wat1 0.03710 0.38414 0.65793 1.00000 Wat2 0.19138 0.40815 0.31930 1.00000 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 Cu1 0.01475 0.00911 0.01589 -0.00347 0.00796 -0.00296 Zn1 0.01475 0.00911 0.01589 -0.00347 0.00796 -0.00296 Cu2 0.01489 0.00874 0.01436 -0.00307 0.00750 -0.00148 Zn2 0.01489 0.00874 0.01436 -0.00307 0.00750 -0.00148 Zn 0.01429 0.00974 0.01455 -0.00099 0.00530 -0.00152 P 0.01266 0.00821 0.01229 0.00010 0.00590 0.00080 O1 0.01503 0.01705 0.01507 0.00595 0.00597 0.00065 O2 0.02162 0.00805 0.01940 -0.00436 0.00899 -0.00262 O3 0.02013 0.01255 0.00959 -0.00278 0.00626 -0.00080 O4 0.01693 0.01006 0.02463 0.00451 0.00821 0.00680 O-H1 0.01967 0.01001 0.01226 -0.00069 0.00960 -0.00049 O-H2 0.01540 0.01165 0.01327 -0.00372 0.00750 -0.00156 O-H3 0.00974 0.00853 0.01534 -0.00134 0.00530 -0.00099 Wat1 0.01832 0.01975 0.03417 0.00020 0.00380 -0.00072 Wat2 0.02639 0.02383 0.02125 0.00169 0.01070 0.00004