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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/9/9009804.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_9009804
_chemical_name 'Abhurite'
loop_
_publ_author_name
'Schnering H G'
'Nesper R'
'Pelshenke H'
_journal_name_full "Zeitschrift fur Naturforschung"
_journal_volume B36
_journal_year 1981
_journal_page_first 1551
_journal_page_last 1560
_publ_section_title
;
 Sn21Cl16(OH)14O6, das sogenannte basische zinn(II)-clorid
 Locality: synthetic
;
_chemical_formula_sum 'Sn21 Cl16 O20 H14'
_cell_length_a 10.018
_cell_length_b 10.018
_cell_length_c 44.03
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 3826.849
_symmetry_space_group_name_H-M 'R 3 2'
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'
  '-x,-x+y,-z'
  '2/3-x,1/3-x+y,1/3-z'
  '1/3-x,2/3-x+y,2/3-z'
  'y,x,-z'
  '2/3+y,1/3+x,1/3-z'
  '1/3+y,2/3+x,2/3-z'
  'x-y,-y,-z'
  '2/3+x-y,1/3-y,1/3-z'
  '1/3+x-y,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_Uiso_or_equiv
Sn1   0.00000   0.00000   0.30310   0.01450
Sn2   0.00000   0.00000   0.06860   0.01510
Sn3   0.00000   0.00000   0.59110   0.01510
Sn4   0.73340   0.00000   0.00000   0.02600
Sn5   0.59260   0.66880   0.90500   0.01550
Sn6   0.22230   0.18400   0.86960   0.02220
Cl1   0.00000   0.00000   0.50000   0.03360
Cl2   0.36800   0.00000   0.50000   0.02250
Cl3   0.33200   0.00400   0.95950   0.01600
Cl4   0.32800   0.33000   0.93400   0.02010
O1   0.00000   0.00000   0.15500   0.02310
O2   0.17000   0.02000   0.10310   0.02330
O3   0.83300   0.33100   0.89240   0.01630
O4   0.16700   0.66100   0.00050   0.02150
H1   0.00000   0.00000   0.19000   0.04000
H2   0.82000   0.45000   0.98000   0.04000
H3   0.84000   0.40000   0.87000   0.04000