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 = 296 K ; _database_code_amcsd 0019907 _chemical_compound_source 'Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)' _chemical_formula_sum 'Cu2 Zn P O9 H7' _cell_length_a 7.5096 _cell_length_b 10.2281 _cell_length_c 9.8258 _cell_angle_alpha 90 _cell_angle_beta 103.3040 _cell_angle_gamma 90 _cell_volume 734.455 _exptl_crystal_density_diffrn 3.387 _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_U_iso_or_equiv Cu1 0.49119 0.07320 0.12977 0.01159 Cu2 0.46075 0.25309 0.35875 0.01117 Zn1 0.06969 0.07607 0.21045 0.01146 P 0.06592 0.29887 0.41457 0.00931 O1 0.97533 0.15924 0.03207 0.01520 O2 0.98311 0.16643 0.35793 0.01380 O3 0.27509 0.28533 0.46986 0.01280 O4 0.02460 0.40001 0.29562 0.01610 O-h1 0.33809 0.08578 0.26875 0.01190 H1 0.35900 0.02300 0.34000 0.08000 O-h2 0.62201 0.21779 0.23336 0.01280 H2 0.74000 0.19000 0.28000 0.08000 O-h3 0.59993 0.40805 0.46354 0.01120 H3 0.72480 0.38600 0.48800 0.08000 OW1 0.65580 0.38343 0.03669 0.02520 H4 0.76000 0.37000 0.00100 0.08000 H5 0.65600 0.33400 0.11700 0.08000 OW2 0.31990 0.40648 0.19194 0.02380 H6 0.32300 0.37400 0.10300 0.08000 H7 0.20200 0.40200 0.20900 0.08000 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 0.01235 0.01255 0.01121 -0.00264 0.00543 -0.00326 Cu2 0.01099 0.01187 0.01168 -0.00128 0.00472 -0.00293 Zn1 0.01111 0.01221 0.01126 -0.00146 0.00295 -0.00107 P 0.00840 0.01001 0.00990 0.00010 0.00289 -0.00132 O1 0.01290 0.02110 0.01300 -0.00010 0.00590 0.00510 O2 0.01250 0.01290 0.01670 -0.00180 0.00490 -0.00430 O3 0.00810 0.01640 0.01390 -0.00050 0.00240 -0.00210 O4 0.01950 0.01400 0.01640 0.00560 0.00710 0.00350 O-h1 0.01050 0.01310 0.01240 -0.00090 0.00320 0.00080 O-h2 0.01120 0.01450 0.01320 -0.00130 0.00390 -0.00200 O-h3 0.01020 0.01200 0.01230 0.00150 0.00430 0.00130 OW1 0.03220 0.02370 0.01920 0.00180 0.00490 0.00260 OW2 0.01820 0.03240 0.02210 -0.00090 0.00750 -0.00240