data_global _chemical_name_mineral 'Voltaite' loop_ _publ_author_name 'Biagioni C' 'Mauro D' 'Pasero M' 'Bonaccorsi E' 'Lepore G O' 'Zaccarini F' 'Skogby H' _journal_name_full 'American Mineralogist' _journal_volume 105 _journal_year 2020 _journal_page_first 1088 _journal_page_last 1098 _publ_section_title ; Crystal-chemistry of sulfates from the Apuan Alps (Tuscany, Italy). VI. Tl-bearing alum-(K) and voltaite from the Fornovolasco mining complex ; _database_code_amcsd 0020897 _chemical_compound_source 'Fornovolasco mine, Apuan Alps, Italy' _chemical_formula_sum '(K1.872 Tl.128) (Fe6.44 Mg1.56) Al S12 O66 H24' _cell_length_a 27.2635 _cell_length_b 27.2635 _cell_length_c 27.2635 _cell_angle_alpha 90 _cell_angle_beta 90 _cell_angle_gamma 90 _cell_volume 20264.918 _exptl_crystal_density_diffrn 2.608 _symmetry_space_group_name_H-M 'F d 3 c' loop_ _space_group_symop_operation_xyz 'x,y,z' 'x,1/2+y,1/2+z' '1/2+x,y,1/2+z' '1/2+x,1/2+y,z' '3/4+z,-x,3/4+y' '3/4+z,1/2-x,1/4+y' '1/4+z,-x,1/4+y' '1/4+z,1/2-x,3/4+y' '3/4-y,1/2+z,1/4-x' '3/4-y,+z,3/4-x' '1/4-y,1/2+z,3/4-x' '1/4-y,+z,1/4-x' '1/4+x,1/2-y,3/4+z' '1/4+x,-y,1/4+z' '3/4+x,1/2-y,1/4+z' '3/4+x,-y,3/4+z' '3/4-z,x,3/4-y' '3/4-z,1/2+x,1/4-y' '1/4-z,x,1/4-y' '1/4-z,1/2+x,3/4-y' '3/4+y,1/2-z,1/4+x' '3/4+y,-z,3/4+x' '1/4+y,1/2-z,3/4+x' '1/4+y,-z,1/4+x' '1/4-x,1/2+y,3/4-z' '1/4-x,+y,1/4-z' '3/4-x,1/2+y,1/4-z' '3/4-x,+y,3/4-z' '1/2+x,1/4-z,1/4-y' '1/2+x,3/4-z,3/4-y' '+x,1/4-z,3/4-y' '+x,3/4-z,1/4-y' '-z,1/4+y,3/4+x' '-z,3/4+y,1/4+x' '1/2-z,1/4+y,1/4+x' '1/2-z,3/4+y,3/4+x' 'y,3/4-x,1/4-z' 'y,1/4-x,3/4-z' '1/2+y,3/4-x,3/4-z' '1/2+y,1/4-x,1/4-z' '1/2-x,1/4+z,1/4+y' '1/2-x,3/4+z,3/4+y' '-x,1/4+z,3/4+y' '-x,3/4+z,1/4+y' 'z,1/4-y,3/4-x' 'z,3/4-y,1/4-x' '1/2+z,1/4-y,1/4-x' '1/2+z,3/4-y,3/4-x' '-y,3/4+x,1/4+z' '-y,1/4+x,3/4+z' '1/2-y,3/4+x,3/4+z' '1/2-y,1/4+x,1/4+z' 'x,1/2+z,y' 'x,+z,1/2+y' '1/2+x,1/2+z,1/2+y' '1/2+x,+z,y' '1/2-z,1/2-y,1/2-x' '1/2-z,-y,-x' '-z,1/2-y,-x' '-z,-y,1/2-x' '1/2+y,x,z' '1/2+y,1/2+x,1/2+z' '+y,x,1/2+z' '+y,1/2+x,z' '-x,1/2-z,-y' '-x,-z,1/2-y' '1/2-x,1/2-z,1/2-y' '1/2-x,-z,-y' '1/2+z,1/2+y,1/2+x' '1/2+z,+y,+x' '+z,1/2+y,+x' '+z,+y,1/2+x' '1/2-y,-x,-z' '1/2-y,1/2-x,1/2-z' '-y,-x,1/2-z' '-y,1/2-x,-z' '3/4+z,1/4+x,1/2-y' '3/4+z,3/4+x,-y' '1/4+z,1/4+x,-y' '1/4+z,3/4+x,1/2-y' '3/4-y,3/4-z,x' '3/4-y,1/4-z,1/2+x' '1/4-y,3/4-z,1/2+x' '1/4-y,1/4-z,x' '1/4+x,3/4+y,1/2-z' '1/4+x,1/4+y,-z' '3/4+x,3/4+y,-z' '3/4+x,1/4+y,1/2-z' '3/4-z,1/4-x,1/2+y' '3/4-z,3/4-x,+y' '1/4-z,1/4-x,+y' '1/4-z,3/4-x,1/2+y' '3/4+y,3/4+z,-x' '3/4+y,1/4+z,1/2-x' '1/4+y,3/4+z,1/2-x' '1/4+y,1/4+z,-x' '1/4-x,3/4-y,1/2+z' '1/4-x,1/4-y,+z' '3/4-x,3/4-y,+z' '3/4-x,1/4-y,1/2+z' '1/2-z,3/4+x,1/4+y' '1/2-z,1/4+x,3/4+y' '-z,3/4+x,3/4+y' '-z,1/4+x,1/4+y' '1/2+y,1/4-z,3/4-x' '1/2+y,3/4-z,1/4-x' '+y,1/4-z,1/4-x' '+y,3/4-z,3/4-x' '-x,1/4+y,1/4+z' '-x,3/4+y,3/4+z' '1/2-x,1/4+y,3/4+z' '1/2-x,3/4+y,1/4+z' '1/2+z,3/4-x,1/4-y' '1/2+z,1/4-x,3/4-y' '+z,3/4-x,3/4-y' '+z,1/4-x,1/4-y' '1/2-y,1/4+z,3/4+x' '1/2-y,3/4+z,1/4+x' '-y,1/4+z,1/4+x' '-y,3/4+z,3/4+x' 'x,1/4-y,1/4-z' 'x,3/4-y,3/4-z' '1/2+x,1/4-y,3/4-z' '1/2+x,3/4-y,1/4-z' '3/4-x,1/2+z,3/4-y' '3/4-x,+z,1/4-y' '1/4-x,1/2+z,1/4-y' '1/4-x,+z,3/4-y' '1/4+z,1/2-y,1/4+x' '1/4+z,-y,3/4+x' '3/4+z,1/2-y,3/4+x' '3/4+z,-y,1/4+x' '1/4-y,x,3/4-z' '1/4-y,1/2+x,1/4-z' '3/4-y,x,1/4-z' '3/4-y,1/2+x,3/4-z' '3/4+x,1/2-z,3/4+y' '3/4+x,-z,1/4+y' '1/4+x,1/2-z,1/4+y' '1/4+x,-z,3/4+y' '1/4-z,1/2+y,1/4-x' '1/4-z,+y,3/4-x' '3/4-z,1/2+y,3/4-x' '3/4-z,+y,1/4-x' '1/4+y,-x,3/4+z' '1/4+y,1/2-x,1/4+z' '3/4+y,-x,1/4+z' '3/4+y,1/2-x,3/4+z' '1/4-x,1/4-z,1/2+y' '1/4-x,3/4-z,+y' '3/4-x,1/4-z,+y' '3/4-x,3/4-z,1/2+y' '3/4+z,1/4+y,-x' '3/4+z,3/4+y,1/2-x' '1/4+z,1/4+y,1/2-x' '1/4+z,3/4+y,-x' '3/4-y,3/4-x,1/2+z' '3/4-y,1/4-x,+z' '1/4-y,3/4-x,+z' '1/4-y,1/4-x,1/2+z' '1/4+x,1/4+z,1/2-y' '1/4+x,3/4+z,-y' '3/4+x,1/4+z,-y' '3/4+x,3/4+z,1/2-y' '3/4-z,1/4-y,x' '3/4-z,3/4-y,1/2+x' '1/4-z,1/4-y,1/2+x' '1/4-z,3/4-y,x' '3/4+y,3/4+x,1/2-z' '3/4+y,1/4+x,-z' '1/4+y,3/4+x,-z' '1/4+y,1/4+x,1/2-z' '1/2-z,1/2-x,-y' '1/2-z,-x,1/2-y' '-z,1/2-x,1/2-y' '-z,-x,-y' '1/2+y,z,1/2+x' '1/2+y,1/2+z,+x' '+y,z,+x' '+y,1/2+z,1/2+x' '-x,-y,-z' '-x,1/2-y,1/2-z' '1/2-x,-y,1/2-z' '1/2-x,1/2-y,-z' '1/2+z,1/2+x,y' '1/2+z,+x,1/2+y' '+z,1/2+x,1/2+y' '+z,+x,y' '1/2-y,-z,1/2-x' '1/2-y,1/2-z,-x' '-y,-z,-x' '-y,1/2-z,1/2-x' 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 K 0.25000 0.25000 0.25000 0.93600 0.03580 Tl 0.25000 0.25000 0.25000 0.06400 0.03580 Fe1 0.00000 0.00000 0.00000 0.98200 0.01520 Mg1 0.00000 0.00000 0.00000 0.01800 0.01520 Fe2 0.25000 0.10274 -0.10274 0.74600 0.01700 Mg2 0.25000 0.10274 -0.10274 0.25400 0.01700 Al 0.12500 0.12500 0.12500 1.00000 0.01290 S 0.23742 0.27552 0.11854 1.00000 0.01480 O1 0.24984 0.24646 0.07377 1.00000 0.02300 O2 0.22466 0.32600 0.10409 1.00000 0.02980 O3 0.19484 0.25393 0.14332 1.00000 0.03910 O4 0.28004 0.27514 0.15208 1.00000 0.03030 OW5 0.18263 0.41982 0.12142 1.00000 0.01630 OW6 0.08960 0.14640 0.07030 0.25000 0.03000 OW7 0.06920 0.08890 0.10410 0.25000 0.03000 H52 0.17200 0.42400 0.15300 1.00000 0.08000 H53 0.16700 0.43300 0.09400 1.00000 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 K 0.03580 0.03580 0.03580 0.01060 0.01060 0.01060 Tl 0.03580 0.03580 0.03580 0.01060 0.01060 0.01060 Fe1 0.01520 0.01520 0.01520 0.00260 0.00260 0.00260 Mg1 0.01520 0.01520 0.01520 0.00260 0.00260 0.00260 Fe2 0.01910 0.01600 0.01600 -0.00050 -0.00050 -0.00030 Mg2 0.01910 0.01600 0.01600 -0.00050 -0.00050 -0.00030 Al 0.01290 0.01290 0.01290 0.00000 0.00000 0.00000 S 0.01580 0.01420 0.01450 0.00000 0.00010 -0.00020 O1 0.02710 0.02370 0.01810 0.00470 -0.00510 -0.00380 O2 0.04400 0.01680 0.02890 0.00380 -0.00380 0.00140 O3 0.03400 0.03600 0.04800 -0.01290 0.01530 -0.00100 O4 0.02800 0.04400 0.01930 0.00610 -0.00310 -0.00770 OW5 0.01210 0.02810 0.00850 -0.00480 0.00050 0.00280 OW6 0.02600 0.03600 0.02800 -0.00700 -0.00600 0.00000 OW7 0.02600 0.03600 0.02800 -0.00700 -0.00600 0.00000