#------------------------------------------------------------------------------
#$Date: 2015-02-21 02:22:20 +0100 (Sat 21 de Feb de 2015) $
#$Revision: 132161 $
#$URL: svn://www.crystallography.net/cod/cif/1/01/10/1011097.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_1011097
loop_
_publ_author_name
'Wei, P. H.'
_publ_section_title              'Die Bindung im Quarz'
_journal_coden_ASTM              ZEKGAX
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik,
Kristallchemie (-144,1977)
;
_journal_page_first              355
_journal_page_last               362
_journal_volume                  92
_journal_year                    1935
_chemical_formula_structural     'Si O2'
_chemical_formula_sum            'O2 Si'
_chemical_name_mineral           'Quartz low'
_chemical_name_systematic        'Silicon oxide $-alpha'
_space_group_IT_number           152
_symmetry_cell_setting           trigonal
_symmetry_Int_Tables_number      152
_symmetry_space_group_name_Hall  'P 31 2"'
_symmetry_space_group_name_H-M   'P 31 2 1'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            3
_cell_length_a                   4.913
_cell_length_b                   4.913
_cell_length_c                   5.404
_cell_volume                     113.0
_exptl_crystal_density_meas      2.66
_cod_database_code               1011097
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_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(4) 0. 0.3333 1. 0 d
O1 O2- 6 c 0.417(13) 0.278(13) 0.222(13) 1. 0 d
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+ 4.000
O2- -2.000
