data_40009-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                40009
_audit_creation_date               1998/06/26
_audit_update_record               2007/08/01
_chemical_name_systematic          'Silicon Oxide - Alpha'
_chemical_formula_structural       'Si O2'
_chemical_formula_sum              'O2 Si1'
_chemical_name_mineral             'Quartz low'
_publ_section_title                'Die Bindung im Quarz'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (-144,1977)
;
 1935 92 355 362 ZEKGAX
2
;
Proceedings of the Royal Society of London, Series A: Mathematical 
and Physical Sciences (76,1906-)
;
 1933 142 237 247 PRLAAZ
_publ_author_name                  Wei
_cell_length_a                     4.913
_cell_length_b                     4.913
_cell_length_c                     5.404
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       112.96
_cell_formula_units_Z              3
_symmetry_space_group_name_H-M     'P 31 2 1'
_symmetry_Int_Tables_number        152
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x-y, -y, -z+2/3'
  2	'-x, -x+y, -z+1/3'
  3	'y, x, -z'
  4	'-x+y, -x, z+2/3'
  5	'-y, x-y, z+1/3'
  6	'x, y, z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
O2-	-2
Si4+	4
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
Si1 Si4+ 3 a 0.465(4) 0 0.3333 1. 0 
O1 O2- 6 c 0.417(13) 0.278(13) 0.222(13) 1. 0 

#End of data_40009-ICSD


