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#$Date: 2013-05-05 17:21:46 +0300 (Sun, 05 May 2013) $
#$Revision: 85285 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013426.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_9013426
loop_
_publ_author_name
'Dove, M. T.'
'Craig, M. S.'
'Keen, D. A.'
'Marshall, W. G.'
'Redfern, S. A. T.'
'Trachenko, K. O.'
'Tucker, M. G.'
_publ_section_title
;Crystal structure of the high-pressure monoclinic phase-II of cristobalite,
 SiO2 Locality: synthetic Note: P = 3.5 GPa, refinement by unconstrained
 Rietveld analysis
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              569
_journal_page_last               576
_journal_volume                  64
_journal_year                    2000
_chemical_formula_structural     SiO2
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_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                 124.949
_cell_angle_gamma                90
_cell_length_a                   8.3780
_cell_length_b                   4.6018
_cell_length_c                   9.0568
_cell_volume                     286.205
_diffrn_ambient_pressure         3.5e+06
_exptl_crystal_density_diffrn    2.789
_[local]_cod_chemical_formula_sum_orig 'Si O2'
_cod_database_code               9013426
loop_
_symmetry_equiv_pos_as_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
_atom_site_U_iso_or_equiv
Si1 0.37260 0.73390 0.21870 -0.00180
Si2 0.13400 0.97790 0.85290 -0.00180
O1 0.18480 0.87450 0.03650 0.00280
O2 0.30560 0.59540 0.33310 0.00280
O3 0.53630 0.97380 0.33150 0.00280
O4 0.93040 0.80520 0.69080 0.00280