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#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012605.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_9012605
loop_
_publ_author_name
'Hazen, R. M.'
'Finger, L. W.'
'Hemley, R. J.'
'Mao, H. K.'
_publ_section_title
;
 High-pressure crystal chemistry and amorphization of alpha-quartz
 Locality: synthetic
 Sample: P = 12.5 GPa
;
_journal_name_full               'Solid State Communications'
_journal_page_first              507
_journal_page_last               511
_journal_volume                  72
_journal_year                    1989
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Quartz
_space_group_IT_number           152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_length_a                   4.535
_cell_length_b                   4.535
_cell_length_c                   5.170
_cell_volume                     92.082
_diffrn_ambient_pressure         1.25e+07
_[local]_cod_data_source_file    12620.cif
_[local]_cod_data_source_block   global
_[local]_cod_chemical_formula_sum_orig 'Si O2'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
-y,x-y,1/3+z
-x,-x+y,1/3-z
-x+y,-x,2/3+z
x-y,-y,2/3-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
Si 0.44870 0.00000 0.33333 0.00646
O 0.36700 0.29520 0.24270 0.01089
_cod_database_code 9012605