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#$Date: 2010-06-10 18:11:07 +0300 (Thu, 10 Jun 2010) $
#$Revision: 1210 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9012600.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_9012600
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 = 1 bar
;
_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                   4.914
_cell_length_b                   4.914
_cell_length_c                   5.406
_cell_volume                     113.052
_diffrn_ambient_pressure         100
_exptl_crystal_density_diffrn    2.648
_[local]_cod_chemical_formula_sum_orig 'Si O2'
_cod_database_code               9012600
_amcsd_database_code             AMCSD#0013408
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
Si1 0.46990 0.00000 0.33333 0.00646
O1 0.41300 0.26680 0.21400 0.01089