###############################################################################
# Graetsch, H.A. (2003)
# Zeitschrift fuer Kristallographie (149,1979-) 218, 531-535
# Rietveld refinement of incommensurate low tridymite
# 
# CIF by ICSD-for-WWW,  Copyright 2003 FIZ-Karlsruhe & A.W.Hewat (hewat@ill.fr)
# NOT TO BE PUBLISHED IN ANY FORM. See http://icsd.ill.fr/icsd/conditions.html
###############################################################################

data_413210-ICSD
_database_code_ICSD                413210
_audit_creation_date               2004-04-01
_chemical_name_systematic
'Silicon oxide'
_chemical_formula_structural       
'Si O2'
_chemical_formula_sum              
'O2 Si1'
_publ_section_title                
'O2 Si1'
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 (149,1979-)' 2003 218 531 535 ZEKRDZ
loop_
_publ_author_name
Graetsch, H.A.
_cell_length_a                     5.0057
_cell_length_b                     8.599
_cell_length_c                     8.2149
_cell_angle_alpha                  90.
_cell_angle_beta                   91.5022
_cell_angle_gamma                  90.
_cell_volume                       353.48
_cell_formula_units_Z              8
_symmetry_space_group_name_H-M     'C 1 c 1'
_symmetry_Int_Tables_number        9
_refine_ls_R_factor_all            0.027300
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
 1 'x,y,z'
 2 '1/2+x,1/2+y,z'
 3 'x,-y,1/2+z'
 4 '1/2+x,1/2-y,1/2+z'
loop_
_atom_type_symbol
_atom_type_oxidation_number
Si4+     4.
O2-     -2.
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_B_iso_or_equiv
_atom_site_occupancy
Si1 Si4+ 4 a 0.0764 0.3086(4) 0.2108 0.0019(8) 1.
Si2 Si4+ 4 a 0.0768(9) 0.6420(4) 0.3358(6) 0.0019(8) 1.
O1 O2- 4 a -.2134(17) 0.2516(11) 0.2547(15) 0.0019(8) 1.
O2 O2- 4 a 0.144(2) 0.4649(12) 0.3008(14) 0.0019(8) 1.
O3 O2- 4 a 0.2861(17) 0.1794(10) 0.2639(15) 0.0019(8) 1.
O4 O2- 4 a 0.089(4) 0.3331(10) 0.024(2) 0.0019(8) 1.
#End of data_413210-ICSD
