data_9009542
_chemical_name 'Ferrotychite'
loop_
_publ_author_name
'Malinovskii Yu A'
'Baturin S V'
'Belov N V'
_journal_name_full "Doklady Akademii Nauk SSSR"
_journal_volume 249
_journal_year 1979
_journal_page_first 1365
_journal_page_last 1368
_publ_section_title
;
 The crystal structure of Fe-tychite
;
_chemical_formula_sum 'Na6 Fe2 S C4 O16'
_cell_length_a 13.962
_cell_length_b 13.962
_cell_length_c 13.962
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 90
_cell_volume 2721.717
_symmetry_space_group_name_H-M 'F d 3'
loop_
_symmetry_equiv_pos_as_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_Uiso_or_equiv
Na   0.90822   0.12500   0.12500   0.01798
Fe   0.50000   0.50000   0.50000   0.00709
S   0.12500   0.12500   0.12500   0.01077
C   0.28077   0.28077   0.28077   0.00836
O1   0.93631   0.93631   0.93631   0.01786
O2   0.22233   0.26721   0.35078   0.01191