#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9006296.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_9006296
_chemical_name 'SiO2'
loop_
_publ_author_name
'Boisen M B'
'Gibbs G V'
'Bukowinski M S T'
_journal_name_full "Physics and Chemistry of Minerals"
_journal_volume 21
_journal_year 1994
_journal_page_first 269
_journal_page_last 284
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 13
;
_chemical_formula_sum 'Si O2'
_cell_length_a 6.6211
_cell_length_b 7.9963
_cell_length_c 5.4115
_cell_angle_alpha 90
_cell_angle_beta 100.2277
_cell_angle_gamma 90
_cell_volume 281.955
_symmetry_space_group_name_H-M 'C 1 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '1/2+x,1/2+y,z'
  '-x,y,-z'
  '1/2-x,1/2+y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1   0.19117   0.50000   0.28369
Si2   0.24400   0.12610   0.20584
O1   0.31674   0.51016   0.57183
O2   0.13270   0.30628   0.22617
O3   0.32872   0.55266   0.07655
O4   0.00574   0.62869   0.74487