data_9009497
_chemical_name 'Vlodavetsite'
loop_
_publ_author_name
'Starova G L'
'Filatov S K'
'Matusevich G L'
'Fundamensky V S'
_journal_name_full "Mineralogical Magazine"
_journal_volume 59
_journal_year 1995
_journal_page_first 159
_journal_page_last 162
_publ_section_title
;
 The crystal structure of vlodavetsite, AlCa2(SO4)2F2Cl*4H2O
 Locality: Tolbachik Main Fracture Eruption, Kamchatka, Russia
;
_chemical_formula_sum 'Al Ca2 S2 F2 Cl O12 H8'
_cell_length_a 6.870
_cell_length_b 6.870
_cell_length_c 13.342
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 629.701
_symmetry_space_group_name_H-M 'I 4/m'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,1/2+z'
  'y,-x,-z'
  '1/2+y,1/2-x,1/2-z'
  '-y,x,z'
  '1/2-y,1/2+x,1/2+z'
  'x,y,-z'
  '1/2+x,1/2+y,1/2-z'
  '-x,-y,z'
  '1/2-x,1/2-y,1/2+z'
  '-y,x,-z'
  '1/2-y,1/2+x,1/2-z'
  'y,-x,z'
  '1/2+y,1/2-x,1/2+z'
  '-x,-y,-z'
  '1/2-x,1/2-y,1/2-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_Uiso_or_equiv
Al   0.00000   0.00000   0.00000   0.01431
Ca   0.00000   0.00000   0.70150   0.01343
S   0.50000   0.00000   0.75000   0.01330
F   0.00000   0.00000   0.86880   0.01773
Cl   0.00000   0.00000   0.50000   0.02685
O1   0.33720   0.06350   0.68590   0.02077
O2   0.05940   0.27270   0.00000   0.02204
H   0.07800   0.32700   0.05100   0.02470