#------------------------------------------------------------------------------
#$Date: 2008-01-13 22:15:36 +0000 (Sun, 13 Jan 2008) $
#$Revision: 14 $
#$URL: svn://www.crystallography.net/cod/cif/2/2004953.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_2004953
_journal_name_full  'Acta Crystallographica'
_journal_year       1996
_journal_volume    'C52'
_journal_page_first     1333
_journal_page_last     1334
_publ_section_title
;
Hexaiododisilane
;
_chemical_formula_sum     'Si2 I6'
_chemical_formula_weight     817.58
_symmetry_cell_setting    'orthorhombic'
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, -y, z+1/2'
'-x, y+1/2, -z'
'x+1/2, -y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, y, -z-1/2'
'x, -y-1/2, z'
'-x-1/2, y-1/2, z-1/2'
_symmetry_space_group_name_H-M     'P n m a'
_cell_length_a     13.702(2)
_cell_length_b     12.498(2)
_cell_length_c     7.8940(10)
_cell_angle_alpha     90.00
_cell_angle_beta     90.00
_cell_angle_gamma     90.00
_cell_volume     1351.8(4)
_cell_formula_units_Z     4
_exptl_crystal_density_diffrn     4.017
_cell_measurement_temperature     293(2)
loop_
_atom_site_label
_atom_site_occupancy
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
I1 1  .24321(5)  .41001(5)  .11088(10)  .0560(3)
I2 1  .00717(5)  .41080(5) -0.27616(10)  .0565(3)
I3 1  -.00093(6)  .2500  .22388(13)  .0553(3)
I4 1  .24813(6)  .2500 -0.39933(12)  .0539(3)
Si1 1  .1479(2)  .2500  .0569(4)  .0349(6)
Si2 1  .1019(2)  .2500 -0.2264(4)  .0339(6)