#------------------------------------------------------------------------------
#$Date: 2010-01-30 15:59:17 +0200 (Sat, 30 Jan 2010) $
#$Revision: 966 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1010954.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
_chemical_name_systematic          'Silicon oxide'
_chemical_name_mineral             'Cristobalite high'
_chemical_formula_structural       'Si O2'
_chemical_formula_sum              'O2 Si'
_publ_section_title
;
The crystal structure of the high temperature form of Cristobalite (Si
O2)
;
loop_
_publ_author_name                  'Wyckoff, R W G'
_journal_name_full
;
American Journal of Science, Serie 5(1,1921-1938)
;
_journal_coden_ASTM                AJSC5L
_journal_volume                    9
_journal_year                      1925
_journal_page_first                448
_journal_page_last                 459
_cell_length_a                     7.12(1)
_cell_length_b                     7.12(1)
_cell_length_c                     7.12(1)
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  90
_cell_volume                       360.9
_cell_formula_units_Z              8
_exptl_crystal_density_meas        2.21
_symmetry_space_group_name_H-M     'F 41 3 2'
_symmetry_Int_Tables_number        210
_symmetry_cell_setting             cubic
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_type_symbol
_atom_type_oxidation_number
  Si4+   4.000
  O2-   -2.000
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
_cod_database_code 1010954