#------------------------------------------------------------------------------
#$Date: 2024-05-02 12:48:35 +0200 (Thu 02 de May de 2024) $
#$Revision: 291455 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/63/9006300.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_9006300
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: 17
;
_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           1
_symmetry_space_group_name_Hall  'P 1'
_symmetry_space_group_name_H-M   'P 1'
_cell_angle_alpha                88.5667
_cell_angle_beta                 114.2259
_cell_angle_gamma                94.0951
_cell_length_a                   5.5569
_cell_length_b                   5.2463
_cell_length_c                   5.9716
_cell_formula_units_Z            4
_cell_volume                     158.353
_exptl_crystal_density_diffrn    2.520
_cod_original_formula_sum        'Si O2'
_cod_database_code               9006300
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 0.13331 0.18553 0.66792
Si2 0.67711 0.07354 0.19415
Si3 0.29764 0.69248 0.98863
Si4 0.18671 0.26282 0.20830
O1 0.17799 0.96268 0.87359
O2 0.61266 0.76700 0.14156
O3 0.22608 0.47365 0.78015
O4 0.87320 0.17109 0.06243
O5 0.82147 0.15236 0.48423
O6 0.38202 0.18349 0.08008
O7 0.19661 0.57335 0.19208
O8 0.28772 0.15463 0.49050
