#------------------------------------------------------------------------------
#$Date: 2024-05-06 09:39:41 +0200 (Mon 06 de May de 2024) $
#$Revision: 291735 $
#$URL: svn://www.crystallography.net/cod/cif/9/00/92/9009218.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_9009218
loop_
_publ_author_name
'Kuwayama, Y.'
'Hirose, K.'
'Sata, N.'
'Ohishi, Y.'
_publ_section_title
;
 The pyrite-type high-pressure form of silica
 Sample: P = 271 GPa, T = 300 K
;
_journal_name_full               Science
_journal_page_first              923
_journal_page_last               925
_journal_paper_doi               10.1126/science.1114879
_journal_volume                  309
_journal_year                    2005
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           205
_symmetry_space_group_name_Hall  '-P 2ac 2ab 3'
_symmetry_space_group_name_H-M   'P a -3'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   3.9299
_cell_length_b                   3.9299
_cell_length_c                   3.9299
_cell_formula_units_Z            4
_cell_volume                     60.694
_database_code_amcsd             0015438
_diffrn_ambient_pressure         2.71e+08
_diffrn_ambient_temperature      300
_exptl_crystal_density_diffrn    6.575
_cod_original_sg_symbol_H-M      'P a 3'
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009218
_amcsd_formula_title             SiO2
loop_
_space_group_symop_operation_xyz
x,y,z
1/2+z,x,1/2-y
z,1/2-x,1/2+y
1/2-z,1/2+x,y
-z,-x,-y
1/2+y,1/2-z,-x
1/2-y,-z,1/2+x
-y,1/2+z,1/2-x
y,z,x
x,1/2-y,1/2+z
1/2-x,1/2+y,z
1/2+x,y,1/2-z
-x,-y,-z
1/2-z,-x,1/2+y
-z,1/2+x,1/2-y
1/2+z,1/2-x,-y
z,x,y
1/2-y,1/2+z,x
1/2+y,z,1/2-x
y,1/2-z,1/2+x
-y,-z,-x
-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
_atom_site_U_iso_or_equiv
Si 0.00000 0.00000 0.00000 0.00469
O 0.34840 0.34840 0.34840 0.01874
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21241293
2 AMCSD 0015438
