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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/9/01/64/9016400.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_9016400
loop_
_publ_author_name
'Dera, P.'
'Lazarz, J. D.'
'Prakapenka, V. B.'
'Barkley, M.'
'Downs, R. T.'
_publ_section_title
;
 New insights into the high-pressure polymorphism of SiO2 cristobalite
 Note: P = 3.5 GPa, data transformed from Dove et al (2000)
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              Online
_journal_page_last               first
_journal_volume                  38
_journal_year                    2011
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Cristobalite II'
_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                 121.0
_cell_angle_gamma                90
_cell_length_a                   8.011
_cell_length_b                   4.544
_cell_length_c                   8.890
_cell_volume                     277.391
_database_code_amcsd             0018348
_exptl_crystal_density_diffrn    2.877
_cod_original_formula_sum        'Si O2'
_cod_database_code               9016400
loop_
_space_group_symop_operation_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 0.62740 0.26610 0.84610 0.01800
Si2 0.86600 0.02210 0.71890 0.01800
O1 0.81520 0.12550 0.85170 0.02800
O2 0.69440 0.40460 0.02750 0.02800
O3 0.46370 0.02620 0.79520 0.02800
O4 0.06960 0.19480 0.76040 0.02800