data_38126-ICSD
#©2008 by Fachinformationszentrum Karlsruhe, and the U.S. Secretary of 
#Commerce on behalf of the United States.  All rights reserved.
_database_code_ICSD                38126
_audit_creation_date               1986/09/24
_audit_update_record               2007/08/01
_chemical_name_systematic          'Silicon Oxide - Ht'
_chemical_formula_structural       'Si O2'
_chemical_formula_sum              'O2 Si1'
_chemical_name_mineral             'Tridymite 2H'
_publ_section_title                'X-ray study of tridymite'
loop_
_citation_id
_citation_journal_abbrev
_citation_year
_citation_journal_volume
_citation_page_first
_citation_page_last
_citation_journal_id_ASTM
primary 'Mineralogical Journal (Japan)' 1964 4 115 130 MJTOAS
2 'Mineralogical Journal (Japan)' 1964 4 131 146 MJTOAS
3 'Phase Transition' 1992 38 127 220 PHTRDP
_publ_author_name                  'Sato, M.'
_cell_length_a                     5.03
_cell_length_b                     5.03
_cell_length_c                     8.22
_cell_angle_alpha                  90.
_cell_angle_beta                   90.
_cell_angle_gamma                  120.
_cell_volume                       180.11
_cell_formula_units_Z              4
_symmetry_space_group_name_H-M     'P 63/m m c'
_symmetry_Int_Tables_number        194
loop_
_symmetry_equiv_pos_site_id
_symmetry_equiv_pos_as_xyz
  1	'x, x-y, -z+1/2'
  2	'-x+y, y, -z+1/2'
  3	'-y, -x, -z+1/2'
  4	'-x+y, -x, -z+1/2'
  5	'-y, x-y, -z+1/2'
  6	'x, y, -z+1/2'
  7	'-x, -x+y, z+1/2'
  8	'x-y, -y, z+1/2'
  9	'y, x, z+1/2'
 10	'x-y, x, z+1/2'
 11	'y, -x+y, z+1/2'
 12	'-x, -y, z+1/2'
 13	'-x, -x+y, -z'
 14	'x-y, -y, -z'
 15	'y, x, -z'
 16	'x-y, x, -z'
 17	'y, -x+y, -z'
 18	'-x, -y, -z'
 19	'x, x-y, z'
 20	'-x+y, y, z'
 21	'-y, -x, z'
 22	'-x+y, -x, z'
 23	'-y, x-y, z'
 24	'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+ 4 f 0.3333 0.6667 0.4375 1. 0 
O1 O2- 2 c 0.3333 0.6667 0.25 1. 0 
O2 O2- 6 g 0.5 0 0.5 1. 0 

#End of data_38126-ICSD


