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#$Date: 2016-02-16 14:49:47 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176465 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/01/34/9013427.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_9013427
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 constrained
 Rietveld analysis
;
_journal_name_full               'Mineralogical Magazine'
_journal_page_first              569
_journal_page_last               576
_journal_paper_doi               10.1180/002646100549436
_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                 124.939
_cell_angle_gamma                90
_cell_length_a                   8.3769
_cell_length_b                   4.6020
_cell_length_c                   9.0583
_cell_volume                     286.263
_diffrn_ambient_pressure         3.5e+06
_exptl_crystal_density_diffrn    2.788
_cod_original_formula_sum        'Si O2'
_cod_database_code               9013427
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 0.37250 0.73100 0.21450 -0.00030
Si2 0.12070 0.96990 0.84030 -0.00030
O1 0.18590 0.86450 0.03510 0.00440
O2 0.29970 0.59120 0.32760 0.00440
O3 0.52960 0.97910 0.32970 0.00440
O4 0.92700 0.80890 0.68390 0.00440