#------------------------------------------------------------------------------
#$Date: 2008-01-26 15:05:32 +0200 (Sat, 26 Jan 2008) $
#$Revision: 19 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9000780.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_9000780
_chemical_name 'Quartz'
loop_
_publ_author_name
'Levien L'
'Prewitt C T'
'Weidner D J'
_journal_name_full "American Mineralogist"
_journal_volume 65
_journal_year 1980
_journal_page_first 920
_journal_page_last 930
_publ_section_title
;
 Structure and elastic properties of quartz at pressure
 P = 61.4 kbar
;
_chemical_formula_sum 'Si O2'
_cell_length_a 4.702
_cell_length_b 4.702
_cell_length_c 5.256
_cell_angle_alpha 90
_cell_angle_beta 90
_cell_angle_gamma 120
_cell_volume 100.636
_symmetry_space_group_name_H-M 'P 32 2 1'
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  'y,x,2/3-z'
  '-y,x-y,2/3+z'
  '-x,-x+y,1/3-z'
  '-x+y,-x,1/3+z'
  'x-y,-y,-z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si   0.45260   0.00000   0.00000
O   0.40340   0.29520   0.09870