data_global
_chemical_name_mineral 'Alum-(K)'
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 0020896
_chemical_compound_source 'Fornovolasco mine, Apuan Alps, Italy'
_chemical_formula_sum '(K.879 Tl.121) (Al.877 Fe.123) S2 O20 H24'
_cell_length_a 12.2030
_cell_length_b 12.2030
_cell_length_c 12.2030
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 1817.188
_exptl_crystal_density_diffrn      1.820
_symmetry_space_group_name_H-M 'P a 3'
loop_
_space_group_symop_operation_xyz
  'x,y,z'
  '1/2+z,x,1/2-y'
  'z,1/2-x,1/2+y'
  '1/2-z,1/2+x,y'
  '-z,-x,-y'
  '1/2+y,1/2-z,-x'
  '1/2-y,-z,1/2+x'
  '-y,1/2+z,1/2-x'
  'y,z,x'
  'x,1/2-y,1/2+z'
  '1/2-x,1/2+y,z'
  '1/2+x,y,1/2-z'
  '-x,-y,-z'
  '1/2-z,-x,1/2+y'
  '-z,1/2+x,1/2-y'
  '1/2+z,1/2-x,-y'
  'z,x,y'
  '1/2-y,1/2+z,x'
  '1/2+y,z,1/2-x'
  'y,1/2-z,1/2+x'
  '-y,-z,-x'
  '-x,1/2+y,1/2-z'
  '1/2+x,1/2-y,-z'
  '1/2-x,-y,1/2+z'
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   0.50000   0.50000   0.50000   0.87900   0.05260
Tl   0.50000   0.50000   0.50000   0.12100   0.05260
Al   0.00000   0.00000   0.00000   0.87700   0.01780
Fe   0.00000   0.00000   0.00000   0.12300   0.01780
S   0.30852   0.30852   0.30852   1.00000   0.02250
OW1   0.15320   0.01817  -0.01744   1.00000   0.02560
H11   0.20500   0.02800   0.04100   1.00000   0.06600
H12   0.18700   0.04400  -0.08300   1.00000   0.06800
OW2   0.04621   0.13636   0.30100   1.00000   0.03740
H21  -0.00200   0.19500   0.29100   1.00000   0.06900
H22   0.11500   0.16800   0.30000   1.00000   0.10000
O3   0.24030   0.24030   0.24030   0.77000   0.06580
O4   0.26520   0.42090   0.31150   0.77000   0.04610
O3A   0.37610   0.37610   0.37610   0.23000   0.06580
O4A   0.28730   0.20410   0.36460   0.23000   0.04610
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 0.05260 0.05260 0.05260 0.01090 0.01090 0.01090
Tl 0.05260 0.05260 0.05260 0.01090 0.01090 0.01090
Al 0.01780 0.01780 0.01780 -0.00030 -0.00030 -0.00030
Fe 0.01780 0.01780 0.01780 -0.00030 -0.00030 -0.00030
S 0.02250 0.02250 0.02250 0.00388 0.00388 0.00388
OW1 0.01820 0.03250 0.02600 -0.00420 0.00040 0.00120
OW2 0.04060 0.03390 0.03760 0.00260 -0.00700 -0.00690
O3 0.06580 0.06580 0.06580 -0.01650 -0.01650 -0.01650
O4 0.06380 0.03260 0.04200 0.02500 0.02830 0.01410
O3A 0.06580 0.06580 0.06580 -0.01650 -0.01650 -0.01650
O4A 0.06380 0.03260 0.04200 0.02500 0.02830 0.01410