#------------------------------------------------------------------------------
#$Date: 2008-01-14 00:15:36 +0200 (Mon, 14 Jan 2008) $
#$Revision: 14 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/1011200.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_1011200
_chemical_name_systematic          'Silicon oxide - $-beta'
_chemical_name_mineral             'Quartz high'
_chemical_formula_structural       'Si O2'
_chemical_formula_sum              'O2 Si'
_publ_section_title
;
Kriterien fuer hexagonale Raumgruppen und die Kristallstruktur von $-
beta Quarz.
;
_publ_author_name                  'Wyckoff, R W G'
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_coden_ASTM                ZEKGAX
_journal_volume                    63
_journal_year                      1926
_journal_page_first                507
_journal_page_last                 537
_cell_length_a                     5.013
_cell_length_b                     5.013
_cell_length_c                     5.47
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       119.0
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 62 2 2'
_symmetry_Int_Tables_number        180
_symmetry_cell_setting             hexagonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,2/3+z'
  'y-x,-x,1/3+z'
  '-x,-y,z'
  'y,y-x,2/3+z'
  'x-y,x,1/3+z'
  'y,x,2/3-z'
  'x-y,-y,-z'
  '-x,y-x,1/3-z'
  '-y,-x,2/3-z'
  'y-x,y,-z'
  'x,x-y,1/3-z'
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+   3 c 0.5 0.5 0.3333 1.  0 d
  O1    O2-    6 j 0.197(4) -0.197(4) 0.8333 1.  0 d