#------------------------------------------------------------------------------
#$Date: 2010-01-30 13:59:17 +0000 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: svn://www.crystallography.net/cod/cif/2/2010158.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_2010158
_journal_name_full 'Acta Crystallographica Section C'
_journal_year  1994
_journal_volume 50
_journal_page_first  1646
_journal_page_last  1648
_publ_section_title
;
Octahydrosilasesquioxane Determined by Neutron Diffraction
;
_space_group_IT_number           147
_symmetry_space_group_name_Hall  '-P 3'
_symmetry_space_group_name_H-M   'P -3'
_[local]_cod_cif_authors_sg_H-M  'R -3'
_[local]_cod_cif_authors_sg_Hall '-R 3'
loop_
_publ_author_name
  'T\"ornroos, K.W.'
_chemical_formula_moiety  'H8 O12 Si8'
_chemical_formula_sum  'H8 O12 Si8'
_chemical_formula_weight  424.74
_symmetry_cell_setting  trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-x,-y,-z'
  'y,y-x,-z'
  '-y,-y+x,+z'
  'x-y,x,-z'
  '-x+y,-x,+z'
_cell_length_a  9.0530(10)
_cell_length_b  9.0530(10)
_cell_length_c  15.1490(10)
_cell_angle_alpha  90.
_cell_angle_beta  90.
_cell_angle_gamma  120.
_cell_volume  1075.2(2)
_cell_formula_units_Z  3
_cell_measurement_temperature  29+-0.5
_exptl_crystal_density_diffrn  1.968
_refine_ls_R_factor_obs  0.0310
_refine_ls_wR_factor_obs  0.0526
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
  Si(1) .0000 .0000 .32152(18) .0049(5)
  Si(2) .31958(19) .20905(19) .44037(10) .0048(3)
  O(1) .19471(14) .11230(15) .35740(8) .0083(3)
  O(2) .31997(15) .06903(14) .50720(8) .0080(3)
  H(1) .0000 .0000 .2252(3)  .0222(8)
  H(2) .4934(3)  .3218(3)  .40885(16) .0218(5)
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
  Si(1) O(1) . 1.6260(10)
  yes
  Si(2) O(1) . 1.623(2) yes
  Si(2) O(2) . 1.624(2) yes
  Si(2) O(2) 5_556 1.628(2) yes
  Si(1) H(1) . 1.459(5) yes
  Si(2) H(2) . 1.463(3) yes
_cod_database_code 2010158