#------------------------------------------------------------------------------
#$Date: 2024-05-29 17:00:33 +0300 (Wed, 29 May 2024) $
#$Revision: 292100 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/75/9017505.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_9017505
loop_
_publ_author_name
'Le Bail, A.'
_publ_section_title
;
 Modelling the silica glass structure by the Rietveld method
 Note: model for amorphous silica based on cristobalite-type topology
;
_journal_name_full               'Journal of Non-Crystalline Solids'
_journal_page_first              39
_journal_page_last               42
_journal_volume                  183
_journal_year                    1995
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           19
_space_group_name_Hall           'P 2ac 2ab'
_space_group_name_H-M_alt        'P 21 21 21'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   7.22
_cell_length_b                   7.09
_cell_length_c                   7.30
_cell_formula_units_Z            8
_cell_volume                     373.686
_database_code_amcsd             0020708
_exptl_crystal_density_diffrn    2.136
_cod_data_source_file            inputs/fixed/downloads/16/16204.cif
_cod_data_source_block           16204
_cod_original_formula_sum        'Si O2'
_cod_database_code               9017505
loop_
_space_group_symop_operation_xyz
x,y,z
-x,1/2+y,1/2-z
1/2+x,1/2-y,-z
1/2-x,-y,1/2+z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.27700 0.27500 0.28200
Si2 0.00900 0.02200 0.01600
O1 0.12500 0.14900 0.15200
O2 0.63500 0.65700 0.06100
O3 0.06500 0.64600 0.65400
O4 0.67000 0.06000 0.62100
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 AMCSD 0020708
