#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006302.cif $
#------------------------------------------------------------------------------
#
# 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_9006302
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: 19
;
_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'
_space_group_IT_number           6
_symmetry_space_group_name_Hall  'P -2y'
_symmetry_space_group_name_H-M   'P 1 m 1'
_cell_angle_alpha                90
_cell_angle_beta                 107.8346
_cell_angle_gamma                90
_cell_length_a                   4.7082
_cell_length_b                   5.5282
_cell_length_c                   5.0064
_cell_formula_units_Z            4
_cell_volume                     124.044
_exptl_crystal_density_diffrn    3.217
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006302
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x,-y,z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.00000 0.50000 0.00000
Si2 0.53662 0.50000 0.53762
Si3 0.95079 0.00000 0.21653
Si4 0.54481 0.00000 0.55830
O1 0.30313 0.00000 0.25680
O2 0.46696 0.74682 0.68687
O3 0.90747 0.50000 0.65132
O4 0.82996 0.25443 0.05792
O5 0.87559 0.00000 0.51469
O6 0.35985 0.50000 0.19218
