#------------------------------------------------------------------------------
#$Date: 2016-02-13 20:28:24 +0100 (Sat 13 de Feb de 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/4/00/24/4002432.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_4002432
loop_
_publ_author_name
'Wojdel, J.C.'
'Zwijnenburg, M.A.'
'Bromley, S.T.'
_publ_section_title
;
 Magic silica clusters as nanoscale building units for
 super-(tris)tetrahedral materials
;
_journal_name_full               'Chemistry of Materials (1,1989-)'
_journal_page_first              1464
_journal_page_last               1469
_journal_volume                  18
_journal_year                    2006
_chemical_formula_sum            'O2 Si'
_chemical_name_systematic        'Si O2'
_space_group_IT_number           171
_symmetry_space_group_name_Hall  'P 62'
_symmetry_space_group_name_H-M   'P 62'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                120
_cell_formula_units_Z            24
_cell_length_a                   17.39
_cell_length_b                   17.39
_cell_length_c                   13.036
_cell_volume                     3414.084
_citation_journal_id_ASTM        CMATEX
_cod_data_source_file            Wojdel_CMATEX_2006_819.cif
_cod_data_source_block           O2Si1
_cod_original_cell_volume        3414.083
_cod_original_formula_sum        'O2 Si1'
_cod_database_code               4002432
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
x-y,x,z+1/3
-y,x-y,z+2/3
-x,-y,z
-x+y,-x,z+1/3
y,-x+y,z+2/3
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
Si2 Si+4 0.62 0.62 0 1 0.0
O2 O-2 0.357 0.538 0.082 1 0.0
O4 O-2 0.254 0.432 0.243 1 0.0
O8 O-2 0.066 0.595 0.268 1 0.0
O5 O-2 0.178 0.432 0.091 1 0.0
O7 O-2 0.181 0.538 0.252 1 0.0
O6 O-2 0.066 0.362 0.26 1 0.0
Si4 Si+4 0.163 0.44 0.216 1 0.0
O3 O-2 0.704 0.638 0.074 1 0.0
O1 O-2 0.53 0.595 0.066 1 0.0
Si1 Si+4 0.437 0.563 0 1 0.0
Si3 Si+4 0.276 0.44 0.118 1 0.0
