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