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 = 473 K ; _database_code_amcsd 0019908 _chemical_compound_source 'Zdravo Vrelo, near Kresevo (Bosnia and Herzegovina)' _chemical_formula_sum 'Cu2 Zn P O8 H5' _cell_length_a 7.252 _cell_length_b 9.233 _cell_length_c 10.520 _cell_angle_alpha 90 _cell_angle_beta 102.076 _cell_angle_gamma 90 _cell_volume 688.808 _exptl_crystal_density_diffrn 3.438 _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 0.47980 0.08719 0.11512 0.02900 Cu2 0.47420 0.22291 0.36711 0.03150 Zn1 0.05410 0.07741 0.19716 0.03170 P 0.09020 0.21500 -0.07710 0.02820 O1 -0.01300 0.17420 0.03010 0.03500 O2 -0.02010 0.16340 0.34320 0.03800 O3 0.29470 0.26450 -0.01720 0.03020 O4 -0.10700 -0.09020 0.16390 0.05100 O-H1 0.33240 0.06100 0.25010 0.03400 O-H2 0.60230 0.24490 0.22230 0.03700 O-H3 0.60050 0.10390 -0.03720 0.02820 Wat1 0.69020 0.06530 0.47120 0.06700 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 0.03660 0.02550 0.02740 -0.00230 0.01250 -0.00300 Cu2 0.03730 0.02610 0.03350 -0.00410 0.01290 -0.00750 Zn1 0.03770 0.02710 0.03130 -0.00370 0.00950 -0.00300 P 0.02950 0.02370 0.03140 -0.00410 0.00640 0.00320 O1 0.03600 0.03500 0.03500 -0.00100 0.00900 0.01100 O2 0.03300 0.05100 0.03800 -0.00300 0.02000 -0.01700 O3 0.03600 0.02900 0.02700 -0.00500 0.01100 0.00400 O4 0.06100 0.04100 0.05600 -0.02200 0.02200 -0.01500 O-H1 0.04300 0.02600 0.03800 0.00300 0.02100 -0.00300 O-H2 0.04000 0.03200 0.04100 -0.00700 0.01400 -0.00100 O-H3 0.03100 0.02300 0.03300 0.00600 0.01300 0.00000 Wat1 0.06200 0.04900 0.09100 0.01600 0.01900 0.02300