data_global _chemical_name_mineral 'Veszelyite' loop_ _publ_author_name 'Danisi R M' 'Armbruster T' 'Lazic B' 'Vulic P' 'Kaindl R' 'Dimitrijevic R' 'Kahlenberg V' _journal_name_full 'American Mineralogist' _journal_volume 98 _journal_year 2013 _journal_page_first 1261 _journal_page_last 1269 _publ_section_title ; In situ dehydration behavior of veszelyite (Cu,Zn)2Zn(PO4)(OH)3*2H2O: A single-crystal X-ray study Note: T = 173 K ; _database_code_amcsd 0019906 _chemical_compound_source 'Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)' _chemical_formula_sum 'Cu1.75 Zn1.25 P O9 H7' _cell_length_a 7.4863 _cell_length_b 10.1933 _cell_length_c 9.7895 _cell_angle_alpha 90 _cell_angle_beta 103.180 _cell_angle_gamma 90 _cell_volume 727.360 _exptl_crystal_density_diffrn 3.424 _symmetry_space_group_name_H-M 'P 1 21/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2-y,1/2+z' '-x,1/2+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_occupancy _atom_site_U_iso_or_equiv Cu1 0.49198 0.07238 0.13093 0.87500 0.01181 Zn1 0.49198 0.07238 0.13093 0.12500 0.01181 Cu2 0.46096 0.25245 0.35993 0.87500 0.01138 Zn2 0.46096 0.25245 0.35993 0.12500 0.01138 Zn3 0.06992 0.07500 0.21193 1.00000 0.01153 P 0.06580 0.29795 0.41612 1.00000 0.01046 O1 0.97420 0.15870 0.03330 1.00000 0.01430 O2 0.98310 0.16410 0.36090 1.00000 0.01320 O3 0.27550 0.28480 0.47160 1.00000 0.01270 O4 0.02410 0.39810 0.29500 1.00000 0.01420 O-h1 0.33850 0.08580 0.27060 1.00000 0.01130 H1 0.35700 0.02400 0.34400 1.00000 0.02700 O-h2 0.62360 0.21760 0.23490 1.00000 0.01230 H2 0.74100 0.18500 0.27900 1.00000 0.04700 O-h3 0.60020 0.40763 0.46380 1.00000 0.01130 H3 0.72700 0.38700 0.48300 1.00000 0.07000 OW1 0.65580 0.38390 0.03810 1.00000 0.01930 H4 0.76600 0.37600 0.00700 1.00000 0.04600 H5 0.65300 0.32300 0.11000 1.00000 0.03300 OW2 0.32110 0.40650 0.19310 1.00000 0.01840 H6 0.31700 0.36400 0.10600 1.00000 0.05500 H7 0.20900 0.39600 0.22200 1.00000 0.10000 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 0.01297 0.01154 0.01180 -0.00167 0.00469 -0.00213 Zn1 0.01297 0.01154 0.01180 -0.00167 0.00469 -0.00213 Cu2 0.01200 0.01090 0.01196 -0.00092 0.00420 -0.00158 Zn2 0.01200 0.01090 0.01196 -0.00092 0.00420 -0.00158 Zn3 0.01203 0.01120 0.01152 -0.00074 0.00300 -0.00063 P 0.01080 0.00990 0.01090 -0.00010 0.00290 -0.00070 O1 0.01290 0.01630 0.01410 0.00030 0.00400 0.00310 O2 0.01450 0.01170 0.01400 -0.00030 0.00480 -0.00220 O3 0.01170 0.01520 0.01180 -0.00100 0.00380 -0.00190 O4 0.01690 0.01130 0.01490 0.00330 0.00460 0.00110 O-h1 0.01110 0.01230 0.01070 -0.00070 0.00270 0.00010 O-h2 0.01150 0.01320 0.01230 -0.00100 0.00310 -0.00160 O-h3 0.01290 0.01070 0.01120 -0.00050 0.00460 0.00070 OW1 0.02300 0.01780 0.01750 0.00030 0.00520 0.00140 OW2 0.01510 0.02270 0.01770 -0.00130 0.00470 -0.00060