#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/2/2100188.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_2100188
_journal_name_full  'Acta Crystallographica, Section B'
_journal_year  2005
_journal_volume  61
_journal_page_first  129
_journal_page_last  132
loop_
_publ_author_name
  "Caspi, El'ad N."
  'Pokroy, Boaz'
  'Lee, Peter L.'
  'Quintana, John P.'
  'Zolotoyabko, Emil'
_chemical_formula_sum  "O2 Si"
_chemical_formula_weight  60.08
_symmetry_cell_setting  trigonal
_symmetry_space_group_name_H-M  "P 32 2 1"
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1 +x,+y,+z
  2 -y,x-y,+z+2/3
  3 y-x,-x,+z+1/3
  4 +y,+x,-z
  5 -x,y-x,-z+2/3
  6 x-y,-y,-z+1/3
_cell_length_a  4.91427(12)
_cell_length_b  4.91427
_cell_length_c  5.4058(2)
_cell_angle_alpha  90.0
_cell_angle_beta  90.0
_cell_angle_gamma  120.0
_cell_volume  113.059(3)
_cell_formula_units_Z  3
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_occupancy
_atom_site_type_symbol
  Si1 0.4723 0.0 0.66667 0.00754 Uani 1.0 Si
  O1 0.416 0.2658 0.7881 0.01747 Uani 1.0 O
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
  Si1 0.0075 0.0095 0.0063 0.00475 -0.002 -0.004
  O1 0.026 0.02 0.0124 0.016 -0.003 -0.005