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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/9/9009687.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_9009687
loop_
_publ_author_name
'Pluth, J. J.'
'Smith, J. V.'
'Faber, J.'
_publ_section_title
;
 Crystal structure of low cristobalite at 10, 293, and 473 K:
 Variation of framework geometry with temperature
 Sample: T = 473 K
 Locality: synthetic
;
_journal_name_full               'Journal of Applied Physics'
_journal_page_first              1045
_journal_page_last               1049
_journal_volume                  57
_journal_year                    1985
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Cristobalite
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.9877
_cell_length_b                   4.9877
_cell_length_c                   6.9697
_cell_volume                     173.386
_diffrn_ambient_temperature      473
_exptl_crystal_density_diffrn    2.302
_[local]_cod_chemical_formula_sum_orig 'Si O2'
_cod_database_code               9009687
_amcsd_database_code             AMCSD#0012572
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y,x,-z
1/2-y,1/2+x,1/4+z
1/2-x,1/2+y,1/4-z
-x,-y,1/2+z
-y,-x,1/2-z
1/2+y,1/2-x,3/4+z
1/2+x,1/2-y,3/4-z
loop_
_atom_site_aniso_label
_atom_site_aniso_U_11
_atom_site_aniso_U_22
_atom_site_aniso_U_33
_atom_site_aniso_U_12
_atom_site_aniso_U_13
_atom_site_aniso_U_23
Si 0.01752 0.01752 0.01895 0.00000 -0.00106 0.00106
O 0.05873 0.01336 0.03150 -0.00277 0.01567 0.00916
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si 0.29490 0.29490 0.00000
O 0.24160 0.09680 0.17470