#------------------------------------------------------------------------------
#$Date: 2023-11-24 09:52:40 +0200 (Fri, 24 Nov 2023) $
#$Revision: 1940 $
#$URL: svn://www.crystallography.net/tcod/cif/20/00/25/20002558.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_20002558
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_224
_symmetry_Int_Tables_number      61
_symmetry_space_group_name_H-M   'P b c a'
_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                   8.77244
_cell_length_b                   8.78329
_cell_length_c                   16.18649
_tcod_data_source_file           1_224.cif
_tcod_data_source_block          1_224
_tcod_database_code              20002558
_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 0.54809 0.02432 0.84359
Si2 Si 0.04809 0.52449 0.34353
Si3 Si 0.72577 0.20222 0.40645
Si4 Si 0.22580 0.70209 0.90642
O1 O 0.61429 0.86447 0.87513
O2 O 0.11430 0.36465 0.37505
O3 O 0.17864 0.65490 0.34964
O4 O 0.67866 0.15470 0.84971
O5 O 0.09497 0.57202 0.90028
O6 O 0.59497 0.07214 0.40022
O7 O 0.99360 0.50009 0.24997
O8 O 0.74990 0.25666 0.50003
