#------------------------------------------------------------------------------
#$Date: 2023-11-24 09:52:40 +0200 (Fri, 24 Nov 2023) $
#$Revision: 1940 $
#$URL: svn://www.crystallography.net/tcod/cif/20/00/25/20002539.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Theoretical Crystallography Open Database
# (TCOD), http://www.crystallography.net/tcod/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_20002539
loop_
_publ_author_name
'Foster, Martin D.'
'Simperler, Alexandra'
'Delgado Friedrichs, Olaf'
'Bell, Robert G.'
'Almeida Paz, Filipe A.'
'Klinowski, Jacek'
_publ_section_title
;
 Chemical evaluation of hypothetical uninodal zeolites
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              9769
_journal_page_last               9775
_journal_paper_doi               10.1021/ja037334j
_journal_volume                  126
_journal_year                    2004
_chemical_compound_source        'Theoretical Calculations'
_chemical_formula_analytical     'O2 Si'
_chemical_formula_sum            'O2 Si'
_chemical_name_common            1_162
_symmetry_Int_Tables_number      205
_symmetry_space_group_name_H-M   'P a -3'
_audit_creation_date             2003-07-01
_audit_creation_method           'Manual editing'
_cell_angle_alpha                90.00000
_cell_angle_beta                 90.00000
_cell_angle_gamma                90.00000
_cell_length_a                   14.84795
_cell_length_b                   14.84795
_cell_length_c                   14.84795
_tcod_data_source_file           1_162.cif
_tcod_data_source_block          1_162
_tcod_database_code              20002539
_tcod_software_package           GULP
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
Si1 Si 0.54181 0.38655 0.65052
Si2 Si 0.03938 0.89192 0.15099
Si3 Si 0.30247 0.24103 0.09624
Si4 Si 0.80189 0.73943 0.59598
O1 O 0.04054 0.85276 0.04825
O2 O 0.54660 0.35179 0.54634
O3 O 0.36596 0.27367 0.18585
O4 O 0.87066 0.77180 0.68070
O5 O 0.50465 0.31807 0.72625
O6 O 0.00400 0.82711 0.23004
O7 O 0.13307 0.92801 0.19406
O8 O 0.63388 0.42331 0.69762
