#------------------------------------------------------------------------------
#$Date: 2013-03-28 18:17:04 +0200 (Thu, 28 Mar 2013) $
#$Revision: 77586 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/09/1010954.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_1010954
loop_
_publ_author_name
'Wyckoff, R W G'
_publ_section_title
;
The crystal structure of the high temperature form of Cristobalite (Si
O2)
;
_journal_coden_ASTM              AJSC5L
_journal_name_full
;
American Journal of Science, Serie 5(1,1921-1938)
;
_journal_page_first              448
_journal_page_last               459
_journal_volume                  9
_journal_year                    1925
_chemical_formula_structural     'Si O2'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Cristobalite high'
_chemical_name_systematic        'Silicon oxide'
_symmetry_cell_setting           cubic
_symmetry_Int_Tables_number      210
_symmetry_space_group_name_H-M   'F 41 3 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   7.12(1)
_cell_length_b                   7.12(1)
_cell_length_c                   7.12(1)
_cell_volume                     360.9
_exptl_crystal_density_meas      2.21
_cod_database_code               1010954
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
z,x,y
y,z,x
1/4-x,1/4-z,1/4-y
1/4-y,1/4-x,1/4-z
1/4-z,1/4-y,1/4-x
-x,y,-z
-z,x,-y
-y,z,-x
3/4+x,1/4-z,3/4+y
3/4+y,1/4-x,3/4+z
3/4+z,1/4-y,3/4+x
x,-y,-z
z,-x,-y
y,-z,-x
1/4-x,3/4+z,3/4+y
1/4-y,3/4+x,3/4+z
1/4-z,3/4+y,3/4+x
-x,-y,z
-z,-x,y
-y,-z,x
3/4+x,3/4+z,1/4-y
3/4+y,3/4+x,1/4-z
3/4+z,3/4+y,1/4-x
x,1/2+y,1/2+z
1/2+x,y,1/2+z
1/2+x,1/2+y,z
z,1/2+x,1/2+y
1/2+z,x,1/2+y
1/2+z,1/2+x,y
y,1/2+z,1/2+x
1/2+y,z,1/2+x
1/2+y,1/2+z,x
1/4-x,3/4-z,3/4-y
3/4-x,1/4-z,3/4-y
3/4-x,3/4-z,1/4-y
1/4-y,3/4-x,3/4-z
3/4-y,1/4-x,3/4-z
3/4-y,3/4-x,1/4-z
1/4-z,3/4-y,3/4-x
3/4-z,1/4-y,3/4-x
3/4-z,3/4-y,1/4-x
-x,1/2+y,1/2-z
1/2-x,y,1/2-z
1/2-x,1/2+y,-z
-z,1/2+x,1/2-y
1/2-z,x,1/2-y
1/2-z,1/2+x,-y
-y,1/2+z,1/2-x
1/2-y,z,1/2-x
1/2-y,1/2+z,-x
3/4+x,3/4-z,1/4+y
1/4+x,1/4-z,1/4+y
1/4+x,3/4-z,3/4+y
3/4+y,3/4-x,1/4+z
1/4+y,1/4-x,1/4+z
1/4+y,3/4-x,3/4+z
3/4+z,3/4-y,1/4+x
1/4+z,1/4-y,1/4+x
1/4+z,3/4-y,3/4+x
x,1/2-y,1/2-z
1/2+x,-y,1/2-z
1/2+x,1/2-y,-z
z,1/2-x,1/2-y
1/2+z,-x,1/2-y
1/2+z,1/2-x,-y
y,1/2-z,1/2-x
1/2+y,-z,1/2-x
1/2+y,1/2-z,-x
1/4-x,1/4+z,1/4+y
3/4-x,3/4+z,1/4+y
3/4-x,1/4+z,3/4+y
1/4-y,1/4+x,1/4+z
3/4-y,3/4+x,1/4+z
3/4-y,1/4+x,3/4+z
1/4-z,1/4+y,1/4+x
3/4-z,3/4+y,1/4+x
3/4-z,1/4+y,3/4+x
-x,1/2-y,1/2+z
1/2-x,-y,1/2+z
1/2-x,1/2-y,z
-z,1/2-x,1/2+y
1/2-z,-x,1/2+y
1/2-z,1/2-x,y
-y,1/2-z,1/2+x
1/2-y,-z,1/2+x
1/2-y,1/2-z,x
3/4+x,1/4+z,3/4-y
1/4+x,3/4+z,3/4-y
1/4+x,1/4+z,1/4-y
3/4+y,1/4+x,3/4-z
1/4+y,3/4+x,3/4-z
1/4+y,1/4+x,1/4-z
3/4+z,1/4+y,3/4-x
1/4+z,3/4+y,3/4-x
1/4+z,1/4+y,1/4-x
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_symmetry_multiplicity
_atom_site_Wyckoff_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_attached_hydrogens
_atom_site_calc_flag
Si1 Si4+ 8 a 0. 0. 0. 1. 0 d
O1 O2- 16 c 0.125 0.125 0.125 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4.000
O2- -2.000