#------------------------------------------------------------------------------
#$Date: 2023-11-24 09:52:40 +0200 (Fri, 24 Nov 2023) $
#$Revision: 1940 $
#$URL: svn://www.crystallography.net/tcod/cif/20/00/25/20002548.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_20002548
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_197
_symmetry_Int_Tables_number      148
_symmetry_space_group_name_H-M   'R -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                120.00000
_cell_length_a                   13.75441
_cell_length_b                   13.75441
_cell_length_c                   19.08780
_tcod_data_source_file           1_197.cif
_tcod_data_source_block          1_197
_tcod_database_code              20002548
_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 0.76018 0.47453 0.46966
Si2 Si 0.77041 0.73146 0.40445
Si3 Si 0.80050 0.67129 0.55710
Si4 Si 0.58429 0.98508 0.69312
O1 O 0.81782 0.54532 0.39955
O2 O 0.80002 0.72945 0.48494
O3 O 0.74927 0.45910 0.19632
O4 O 0.65777 0.61253 0.38309
O5 O 0.57951 0.08218 0.93640
O6 O 0.70430 0.02923 0.73199
O7 O 0.79845 0.55484 0.53846
O8 O 0.54292 0.07746 0.69132
