data_global
_chemical_name_mineral 'Chukhrovite-(Ca)'
loop_
_publ_author_name
'Vignola P'
'Hatert F'
'Bersani D'
'Diella V'
'Gentile P'
'Risplendente A'
_journal_name_full 'European Journal of Mineralogy'
_journal_volume 24 
_journal_year 2012
_journal_page_first 1069
_journal_page_last 1076
_publ_section_title
;
 Chukhrovite-(Ca), Ca4.5Al2(SO4)F13*12H2O, a new mineral species from
 the Val Cavallizza Pb-Zn-(Ag) mine, Cuasso al Monte, Varese province, Italy
;
_database_code_amcsd 0019596
_chemical_compound_source 'Val Cavallizza mine, Cuasso al Monte, Varese province, Italy'
_chemical_formula_sum 'Ca4.33 Na.12 Fe.03 Al2 S F13 O16 H24'
_cell_length_a 16.749
_cell_length_b 16.749
_cell_length_c 16.749
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 4698.581
_exptl_crystal_density_diffrn      2.237
_symmetry_space_group_name_H-M 'F d 3'
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'
  '1/4+z,1/4+x,-y'
  '1/4+z,3/4+x,1/2-y'
  '3/4+z,1/4+x,1/2-y'
  '3/4+z,3/4+x,-y'
  '1/4+z,-x,1/4+y'
  '1/4+z,1/2-x,3/4+y'
  '3/4+z,-x,3/4+y'
  '3/4+z,1/2-x,1/4+y'
  '-z,1/4+x,1/4+y'
  '-z,3/4+x,3/4+y'
  '1/2-z,1/4+x,3/4+y'
  '1/2-z,3/4+x,1/4+y'
  '-z,-x,-y'
  '-z,1/2-x,1/2-y'
  '1/2-z,-x,1/2-y'
  '1/2-z,1/2-x,-y'
  'y,3/4-z,3/4-x'
  'y,1/4-z,1/4-x'
  '1/2+y,3/4-z,1/4-x'
  '1/2+y,1/4-z,3/4-x'
  '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'
  '3/4-y,z,3/4-x'
  '3/4-y,1/2+z,1/4-x'
  '1/4-y,z,1/4-x'
  '1/4-y,1/2+z,3/4-x'
  'y,z,x'
  'y,1/2+z,1/2+x'
  '1/2+y,z,1/2+x'
  '1/2+y,1/2+z,x'
  '1/4+x,-y,1/4+z'
  '1/4+x,1/2-y,3/4+z'
  '3/4+x,-y,3/4+z'
  '3/4+x,1/2-y,1/4+z'
  '-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'
  '1/4+x,1/4+y,-z'
  '1/4+x,3/4+y,1/2-z'
  '3/4+x,1/4+y,1/2-z'
  '3/4+x,3/4+y,-z'
  '-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,3/4-x,y'
  '3/4-z,1/4-x,1/2+y'
  '1/4-z,3/4-x,1/2+y'
  '1/4-z,1/4-x,y'
  '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'
  'z,3/4-x,3/4-y'
  'z,1/4-x,1/4-y'
  '1/2+z,3/4-x,1/4-y'
  '1/2+z,1/4-x,3/4-y'
  'z,x,y'
  'z,1/2+x,1/2+y'
  '1/2+z,x,1/2+y'
  '1/2+z,1/2+x,y'
  '-y,1/4+z,1/4+x'
  '-y,3/4+z,3/4+x'
  '1/2-y,1/4+z,3/4+x'
  '1/2-y,3/4+z,1/4+x'
  '1/4+y,1/4+z,-x'
  '1/4+y,3/4+z,1/2-x'
  '3/4+y,1/4+z,1/2-x'
  '3/4+y,3/4+z,-x'
  '1/4+y,-z,1/4+x'
  '1/4+y,1/2-z,3/4+x'
  '3/4+y,-z,3/4+x'
  '3/4+y,1/2-z,1/4+x'
  '-y,-z,-x'
  '-y,1/2-z,1/2-x'
  '1/2-y,-z,1/2-x'
  '1/2-y,1/2-z,-x'
  '3/4-x,y,3/4-z'
  '3/4-x,1/2+y,1/4-z'
  '1/4-x,y,1/4-z'
  '1/4-x,1/2+y,3/4-z'
  'x,3/4-y,3/4-z'
  'x,1/4-y,1/4-z'
  '1/2+x,3/4-y,1/4-z'
  '1/2+x,1/4-y,3/4-z'
  '3/4-x,3/4-y,z'
  '3/4-x,1/4-y,1/2+z'
  '1/4-x,3/4-y,1/2+z'
  '1/4-x,1/4-y,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
Ca1   0.29285   0.29285   0.29285   1.00000   0.02050
Ca2  -0.12500   0.37500   0.60300   0.05500   0.05200
Na2  -0.12500   0.37500   0.60300   0.02000   0.05200
Fe2  -0.12500   0.37500   0.60300   0.00500   0.05200
Al   0.50000   0.50000   0.50000   1.00000   0.01740
S   0.12500   0.12500   0.12500   1.00000   0.02690
F1   0.37500   0.37500   0.37500   1.00000   0.01700
F2   0.21970   0.34000   0.44940   1.00000   0.02900
O   0.07400   0.07400   0.07400   1.00000   0.03100
Owat   0.15560   0.24360   0.30710   1.00000   0.04010
H1   0.13200   0.21300   0.27600   1.00000   0.08000
H2   0.15100   0.21300   0.35000   1.00000   0.09000
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
Ca1 0.02050 0.02050 0.02050 -0.00190 -0.00190 -0.00190
Ca2 0.06000 0.04100 0.06000 -0.00400 0.00000 0.00000
Na2 0.06000 0.04100 0.06000 -0.00400 0.00000 0.00000
Fe2 0.06000 0.04100 0.06000 -0.00400 0.00000 0.00000
Al 0.01740 0.01740 0.01740 -0.00310 -0.00310 -0.00310
S 0.02690 0.02690 0.02690 0.00000 0.00000 0.00000
F1 0.01700 0.01700 0.01700 0.00000 0.00000 0.00000
F2 0.03000 0.02400 0.03300 -0.00310 -0.00210 0.01040
O 0.03100 0.03100 0.03100 -0.00200 -0.00200 -0.00200
Owat 0.03400 0.05500 0.03100 -0.01800 -0.00200 0.00200