#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/1/1010043.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_1010043
_chemical_name_systematic          'Tin(IV) tetraiodide'
_chemical_formula_structural       'Sn I4'
_chemical_formula_sum              'I4 Sn'
_publ_section_title
;
Die Strukturen von Mn O, Mn S, Ag F, Ni S, Sn I~4~, Sr Cl~2~, Ba F~2~,
Praezisionsmessungen einiger Alkalihalogenide.
;
_publ_author_name                  'Ott, H'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    63
_journal_year                      1926
_journal_page_first                222
_journal_page_last                 230
_cell_length_a                     6.12(5)
_cell_length_b                     6.12(5)
_cell_length_c                     6.12(5)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       229.2
_cell_formula_units_Z              1
_symmetry_space_group_name_H-M     'P 2 3'
_symmetry_Int_Tables_number        195
_symmetry_cell_setting             cubic
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,z,x'
  'z,x,y'
  'x,-y,-z'
  'y,-z,-x'
  'z,-x,-y'
  '-x,y,-z'
  '-y,z,-x'
  '-z,x,-y'
  '-x,-y,z'
  '-y,-z,x'
  '-z,-x,y'
loop_
_atom_type_symbol
_atom_type_oxidation_number
  Sn4+   4.000
  I1-   -1.000
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
  Sn1   Sn4+   1 a 0. 0. 0. 1.  0 d
  I1    I1-    4 e 0.25 0.25 0.25 1.  0 d