#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009278.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9009278
_chemical_name 'Slavikite'
loop_
_publ_author_name
'Susse P'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1973
_journal_year 1973
_journal_page_first 93
_journal_page_last 95
_publ_section_title
;
 Slavikit: kristallstruktur und chemische formel
 Locality: La Alcaparros, Argentina
;
_chemical_formula_sum 'Na Mg2 Fe5 S7 O67 H78'
_cell_length_a 12.20
_cell_length_b 12.20
_cell_length_c 35.130
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 4528.229
_symmetry_space_group_name_H-M 'R -3'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '2/3+x,1/3+y,1/3+z'
  '1/3+x,2/3+y,2/3+z'
  'y,-x+y,-z'
  '2/3+y,1/3-x+y,1/3-z'
  '1/3+y,2/3-x+y,2/3-z'
  '-x+y,-x,z'
  '2/3-x+y,1/3-x,1/3+z'
  '1/3-x+y,2/3-x,2/3+z'
  '-x,-y,-z'
  '2/3-x,1/3-y,1/3-z'
  '1/3-x,2/3-y,2/3-z'
  '-y,x-y,z'
  '2/3-y,1/3+x-y,1/3+z'
  '1/3-y,2/3+x-y,2/3+z'
  'x-y,x,-z'
  '2/3+x-y,1/3+x,1/3-z'
  '1/3+x-y,2/3+x,2/3-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_Uiso_or_equiv
Na   0.00000   0.00000   0.45590   0.50000   0.02533
Mg   0.00000   0.00000   0.34340   1.00000   0.02533
Fe1   0.00000   0.00000   0.19510   1.00000   0.02533
Fe2   0.50000   0.00000   0.50000   1.00000   0.02533
S1   0.00000   0.00000   0.00000   1.00000   0.02533
S2   0.44800   0.38800   0.10410   1.00000   0.02533
O1   0.36400   0.33900   0.07130   1.00000   0.02533
O2   0.50800   0.52400   0.10770   1.00000   0.02533
O3   0.54700   0.35100   0.10030   1.00000   0.02533
O4   0.37100   0.32600   0.13970   1.00000   0.02533
O5   0.93800   0.90200   0.02660   0.33333   0.02533
O6   0.87400   0.94300   0.01280   0.33333   0.02533
O-H7   0.70700   0.48400   0.16880   1.00000   0.02533
Wat8   0.46200   0.64600   0.04340   1.00000   0.02533
Wat9   0.70000   0.48200   0.02600   1.00000   0.02533
Wat10   0.75600   0.68300   0.11600   1.00000   0.02533
Wat11   0.10600   0.19600   0.09210   1.00000   0.02533
Wat12   0.68300   0.69200   0.00680   1.00000   0.02533
Wat13   0.55600   0.77400   0.14480   0.50000   0.02533