#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/8/10/43/8104322.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_8104322
loop_
_publ_author_name
'Shropshire, J.'
'Keat, P.P.'
'Vaughan, P.A.'
_publ_section_title
;
 The crystal structure of keatite, a new form of silica
;
_journal_name_full
;
Zeitschrift fuer Kristallographie, Kristallgeometrie, Kristallphysik, 
Kristallchemie (145,1977-148,1979)
;
_journal_page_first              409
_journal_page_last               413
_journal_volume                  112
_journal_year                    1959
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           92
_symmetry_space_group_name_Hall  'P 4abw 2nw'
_symmetry_space_group_name_H-M   'P 41 21 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            12
_cell_length_a                   7.464
_cell_length_b                   7.464
_cell_length_c                   8.62
_cell_volume                     480.231
_citation_journal_id_ASTM        ZKKKAJ
_cod_data_source_file            Shropshire_ZKKKAJ_1959_381.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        480.2314
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               8104322
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y+1/2,x+1/2,z+1/4
-x,-y,z+1/2
y+1/2,-x+1/2,z+3/4
x+1/2,-y+1/2,-z+3/4
y,x,-z
-x+1/2,y+1/2,-z+1/4
-y,-x,-z+1/2
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_occupancy
_atom_site_U_iso_or_equiv
O3 O-2 0.344 0.297 0.143 1 0.0
O2 O-2 0.117 0.123 0.296 1 0.0
O1 O-2 0.445 0.132 0.4 1 0.0
Si1 Si+4 0.41 0.41 0 1 0.0
Si2 Si+4 0.326 0.12 0.248 1 0.0
