#------------------------------------------------------------------------------
#$Date: 2012-02-28 14:14:52 +0200 (Tue, 28 Feb 2012) $
#$Revision: 35911 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/01/11/1011172.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_1011172
_chemical_name_systematic          'Silicon oxide $-alpha'
_chemical_name_mineral             'Quartz low'
_chemical_formula_structural       'Si O2'
_chemical_formula_sum              'O2 Si'
_publ_section_title
;
Studien ueber chemische Bindung mittels Fourieranalyse III. Die Bindung
im Quarz
;
loop_
_publ_author_name
  'Brill, R'
  'Hermann, C'
  'Peters, C'
_journal_name_full                 'Naturwissenschaften'
_journal_coden_ASTM                NATWAY
_journal_volume                    27
_journal_year                      1939
_journal_page_first                676
_journal_page_last                 677
_cell_length_a                     4.913
_cell_length_b                     4.913
_cell_length_c                     5.405
_cell_angle_alpha                  90
_cell_angle_beta                   90
_cell_angle_gamma                  120
_cell_volume                       113.0
_cell_formula_units_Z              3
_exptl_crystal_density_meas        2.66
_symmetry_space_group_name_H-M     'P 31 2 1'
_symmetry_Int_Tables_number        152
_symmetry_cell_setting             trigonal
loop_
_symmetry_equiv_pos_as_xyz
  'x,y,z'
  '-y,x-y,1/3+z'
  'y-x,-x,2/3+z'
  'y,x,-z'
  '-x,y-x,1/3-z'
  'x-y,-y,2/3-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 a 0.465(3) 0. 0.3333 1.  0 d
  O1    O2-    6 c 0.415(3) 0.272(3) 0.213(2) 1.  0 d
_cod_database_code 1011172