#------------------------------------------------------------------------------
#$Date: 2009-11-20 13:07:27 +0200 (Fri, 20 Nov 2009) $
#$Revision: 893 $
#$URL: file:///home/coder/svn-repositories/cod/cif/9/9005799.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_9005799
loop_
_publ_author_name
'Endo S'
'Akai T'
'Akahama Y'
'Wakatsuki M'
'Nakamura T'
'Tomii Y'
'Koto K'
'Ito Y'
'Tokonami M'
_publ_section_title
;
 High temperature X-ray study of single crystal stishovite
 synthesized with Li2WO4 as flux
 Sample: T = 300 C
;
_journal_name_full               'Physics and Chemistry of Minerals'
_journal_page_first              146
_journal_page_last               151
_journal_volume                  13
_journal_year                    1986
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           Stishovite
_symmetry_space_group_name_H-M   'P 42/m n m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_length_a                   4.1898
_cell_length_b                   4.1898
_cell_length_c                   2.6694
_cell_volume                     46.860
_diffrn_ambient_temperature      573.15
_[local]_cod_chemical_formula_sum_orig 'Si O2'
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,-x,z
y,x,-z
1/2+y,1/2-x,1/2-z
1/2-y,1/2+x,1/2+z
1/2+x,1/2-y,1/2+z
1/2-x,1/2+y,1/2-z
x,y,-z
-x,-y,z
y,x,z
-y,-x,-z
1/2-y,1/2+x,1/2-z
1/2+y,1/2-x,1/2+z
1/2-x,1/2+y,1/2+z
1/2+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
Si 0.00000 0.00000 0.00000 0.00393
O 0.30570 0.30570 0.00000 0.00481
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 0.00471 0.00471 0.00209 -0.00062 0.00000 0.00000
O 0.00551 0.00551 0.00390 -0.00276 0.00000 0.00000