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#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/62/9006297.cif $
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#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided the American Mineralogist Crystal Structure Database,
# http://rruff.geo.arizona.edu/AMS/amcsd.php
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_9006297
loop_
_publ_author_name
'Boisen, M. B.'
'Gibbs, G. V.'
'Bukowinski, M. S. T.'
_publ_section_title
;
 Framework silica structures generated using simulated annealing
 with a potential energy function based on an H6Si2O7 molecule
 Sample: 14
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              269
_journal_page_last               284
_journal_volume                  21
_journal_year                    1994
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           SiO2
_space_group_IT_number           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                92.6936
_cell_angle_beta                 90.7338
_cell_angle_gamma                90.0688
_cell_length_a                   5.8657
_cell_length_b                   5.1519
_cell_length_c                   5.3377
_cell_volume                     161.111
_exptl_crystal_density_diffrn    2.477
_[local]_cod_chemical_formula_sum_orig 'Si O2'
_cod_database_code               9006297
_amcsd_database_code             AMCSD#0007818
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.09993 0.21417 0.23644
Si2 0.84312 0.85110 0.49421
Si3 0.10030 0.47770 0.74039
Si4 0.53953 0.35064 0.49265
O1 0.00245 0.33899 0.98339
O2 0.68637 0.59987 0.40748
O3 0.99205 0.35273 0.48362
O4 0.37609 0.24120 0.26115
O5 0.37645 0.45195 0.72274
O6 0.00933 0.77384 0.72822
O7 0.00859 0.91962 0.26120
O8 0.69721 0.10951 0.57922