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#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9009281.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_9009281
_chemical_name 'Slavikite'
loop_
_publ_author_name
'Susse P'
_journal_name_full "Neues Jahrbuch fur Mineralogie, Monatshefte"
_journal_volume 1975
_journal_year 1975
_journal_page_first 27
_journal_page_last 40
_publ_section_title
;
 Struktur und kristallchemie des slavikits, NaMg2Fe5(SO4)7(OH)6(H2O)33
 Locality: La Alcaparrosa, San Juan, Argentina
;
_chemical_formula_sum 'Na Mg2 Fe5 S7 O67 H78'
_cell_length_a 12.20
_cell_length_b 12.20
_cell_length_c 35.13
_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   0.46300   0.50000   0.27863
Mg   0.00000   0.00000   0.34310   1.00000   0.02026
Fe1   0.00000   0.00000   0.19510   1.00000   0.02280
Fe2   0.50000   0.00000   0.50000   1.00000   0.02508
S1   0.00000   0.00000   0.00000   1.00000   0.03331
S2   0.44760   0.38720   0.10400   1.00000   0.03179
O1   0.36200   0.34000   0.07100   1.00000   0.05193
O2   0.50800   0.52600   0.10810   1.00000   0.04433
O3   0.54700   0.34900   0.10010   1.00000   0.03673
O4   0.37300   0.32800   0.14000   1.00000   0.03040
O5   0.93800   0.90300   0.03100   0.33333   0.07599
O6   0.86500   0.94700   0.01400   0.33333   0.13932
O-H7   0.70600   0.48400   0.16900   1.00000   0.03546
Wat8   0.46200   0.64700   0.04360   1.00000   0.05573
Wat9   0.70000   0.48300   0.02620   1.00000   0.05066
Wat10   0.75600   0.68000   0.11620   1.00000   0.03926
Wat11   0.10600   0.19500   0.09220   1.00000   0.04433
Wat12   0.68200   0.69000   0.00640   1.00000   0.04813
Wat13   0.54900   0.76800   0.14610   0.50000   0.08612