data_global _chemical_name_mineral 'Leogangite' loop_ _publ_author_name 'Lengauer C L' 'Giester G' 'Kirchner E' _journal_name_full 'Mineralogy and Petrology' _journal_volume 81 _journal_year 2004 _journal_page_first 187 _journal_page_last 201 _publ_section_title ; Leogangite, Cu10(AsO4)4(SO4)(OH)6*8H2O, a new mineral from the Leogang mining district, Salzburg province, Austria ; _database_code_amcsd 0014647 _chemical_compound_source 'Leogang polymetallic ore district, Salzburg province, Austria' _chemical_formula_sum 'Cu10 As4 S O34 H22' _cell_length_a 21.770 _cell_length_b 12.327 _cell_length_c 10.720 _cell_angle_alpha 90 _cell_angle_beta 92.85 _cell_angle_gamma 90 _cell_volume 2873.248 _exptl_crystal_density_diffrn 3.545 _symmetry_space_group_name_H-M 'C 1 2/c 1' loop_ _space_group_symop_operation_xyz 'x,y,z' '1/2+x,1/2+y,z' 'x,-y,1/2+z' '1/2+x,1/2-y,1/2+z' '-x,y,1/2-z' '1/2-x,1/2+y,1/2-z' '-x,-y,-z' '1/2-x,1/2-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 0.23550 0.03380 0.21840 0.03650 Cu2 0.36380 0.13970 0.09480 0.03870 Cu3 0.16350 0.13550 0.48620 0.04040 Cu4 0.13040 0.45840 0.16090 0.04020 Cu5 0.16340 0.23370 0.19290 0.04120 As1 0.17840 0.38830 0.43490 0.03530 As2 0.31140 0.39130 0.06770 0.03640 S 0.50000 0.08670 0.25000 0.04700 O1 0.17900 0.28600 0.53900 0.04100 O2 0.13980 0.35400 0.30000 0.04000 O3 0.25070 0.42700 0.40500 0.04200 O4 0.13750 0.49600 0.49000 0.03600 O5 0.36330 0.49100 0.06600 0.04300 O6 0.25020 0.43200 0.14500 0.04000 O7 0.34460 0.28500 0.14400 0.04500 O8 0.28930 0.35800 -0.08400 0.04700 O9 0.46300 0.02600 0.32900 0.11100 O10 0.45900 0.15400 0.17100 0.07900 O-H1 0.20920 0.15600 0.32600 0.03800 O-H2 0.11490 0.32000 0.07300 0.03900 O-H3 0.33570 0.08000 0.24900 0.03600 Wat1 0.08000 0.12100 0.21800 0.12000 Wat2 0.11470 0.11800 0.64000 0.06500 Wat3 0.01200 0.32000 0.42500 0.10200 Wat4 0.48500 0.39100 0.10100 0.16000 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 0.04400 0.04800 0.01700 0.00000 0.00300 0.00200 Cu2 0.04800 0.05000 0.01800 -0.00100 0.00300 0.00300 Cu3 0.05100 0.04800 0.02300 0.00000 0.00400 0.00300 Cu4 0.04400 0.05800 0.01900 0.00000 0.00100 -0.00100 Cu5 0.05000 0.05500 0.01900 0.00100 0.00200 0.00300 As1 0.04200 0.04700 0.01700 0.00000 0.00120 0.00100 As2 0.04800 0.04400 0.01700 0.00000 0.00170 0.00200 S 0.03600 0.07100 0.03200 0.00000 -0.00200 0.00000 O1 0.03800 0.06000 0.02700 0.00600 0.00100 0.00100 O2 0.05000 0.05000 0.01800 -0.00700 0.00400 -0.00700 O3 0.05000 0.06000 0.02500 0.00700 0.00100 0.00100 O4 0.03900 0.04000 0.02500 0.00000 0.00500 -0.00400 O5 0.02600 0.06000 0.04600 0.00400 0.00400 0.00000 O6 0.06000 0.05000 0.01700 -0.00500 0.00300 -0.00400 O7 0.07000 0.05000 0.02100 0.00400 -0.01800 0.01800 O8 0.06000 0.06000 0.02700 -0.00400 -0.00100 0.00000 O9 0.09000 0.13000 0.11000 0.06000 -0.01000 -0.02000 O10 0.07000 0.08000 0.09000 0.03000 -0.02900 -0.01400 O-H1 0.05000 0.05000 0.01900 0.00000 0.01300 -0.00100 O-H2 0.03700 0.06000 0.01800 -0.00100 -0.00500 0.00300 O-H3 0.02700 0.05000 0.02700 -0.00100 0.00400 0.00800 Wat1 0.11000 0.12000 0.14000 0.05000 -0.01000 -0.01000 Wat2 0.06000 0.09000 0.04400 -0.01300 0.00700 -0.00200 Wat3 0.09000 0.13000 0.09000 0.01000 0.01000 -0.01000 Wat4 0.14000 0.17000 0.16000 -0.01000 0.01000 0.00000