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#$Date: 2024-05-06 10:39:41 +0300 (Mon, 06 May 2024) $
#$Revision: 291735 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/00/92/9009238.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_9009238
loop_
_publ_author_name
'Haines, J.'
'Leger, J. M.'
'Gorelli, F.'
'Hanfland, M.'
_publ_section_title
;
 Crystalline post-quartz phase in silica at high pressure
 Sample at ambient conditions
;
_journal_name_full               'Physical Review Letters'
_journal_page_first              155503
_journal_page_last               155503
_journal_paper_doi               10.1103/PhysRevLett.87.155503
_journal_volume                  87
_journal_year                    2001
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_space_group_IT_number           14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90
_cell_angle_beta                 117.9
_cell_angle_gamma                90
_cell_length_a                   7.66
_cell_length_b                   4.10
_cell_length_c                   5.03
_cell_formula_units_Z            6
_cell_volume                     139.610
_database_code_amcsd             0015284
_exptl_crystal_density_diffrn    4.288
_cod_original_formula_sum        'Si O2'
_cod_database_code               9009238
_amcsd_formula_title             SiO2
loop_
_space_group_symop_operation_xyz
x,y,z
x,1/2-y,1/2+z
-x,1/2+y,1/2-z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 0.50000 0.00000 0.00000
Si2 0.16600 0.50090 0.96880
O1 0.05350 0.24290 0.65110
O2 0.72080 0.24180 0.18640
O3 0.38730 0.23730 0.65970
loop_
_cod_related_entry_id
_cod_related_entry_database
_cod_related_entry_code
1 ChemSpider 21241293
2 AMCSD 0015284