#------------------------------------------------------------------------------
#$Date: 2016-01-09 14:21:21 +0200 (Sat, 09 Jan 2016) $
#$Revision: 174031 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/83/7118391.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_7118391
loop_
_publ_author_name
'Plevert, J.'
'Kubota, Y.'
'Honda, T.'
'Okubo, T.'
'Sugi, Y.'
_publ_section_title
;
 GUS-1: a mordenite-like molecular sieve with the 12-ring channel of
 ZSM-12
;
_journal_name_full               'Chemical Communications'
_journal_page_first              2363
_journal_page_last               2364
_journal_volume                  2000
_journal_year                    2000
_chemical_formula_sum            'O64 Si32'
_chemical_name_systematic        'Si32 O64'
_space_group_IT_number           21
_symmetry_space_group_name_Hall  'C 2 2'
_symmetry_space_group_name_H-M   'C 2 2 2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   16.42059
_cell_length_b                   20.05399
_cell_length_c                   5.0464
_cell_volume                     1661.771
_citation_journal_id_ASTM        CHCOFS
_cod_data_source_file            Plevert_CHCOFS_2000_285.cif
_cod_data_source_block           O64Si32
_cod_database_code               7118391
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,z
x,-y,-z
-x,y,-z
x+1/2,y+1/2,z
-x+1/2,-y+1/2,z
x+1/2,-y+1/2,-z
-x+1/2,y+1/2,-z
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
O7 O-2 0.1151 0.1023 0.317 1 0.0
O6 O-2 0.212 0 0.5 1 0.0
O10 O-2 0 0.297 0 1 0.0
O8 O-2 0 0.1006 0 1 0.0
O4 O-2 0.2644 0.117 0.477 1 0.0
O5 O-2 0.1537 0.0785 0.834 1 0.0
Si2 Si+4 0.1818 0.0767 0.527 1 0.0
O2 O-2 0.384 0.2092 0.307 1 0.0
O3 O-2 0.25 0.25 0.522 1 0.0
Si4 Si+4 0.0964 0.2819 -0.002 1 0.0
Si3 Si+4 0.0937 0.1222 0.016 1 0.0
O1 O-2 0.3549 0.1874 0.754 1 0.0
Si1 Si+4 0.3074 0.1879 0.478 1 0.0
O9 O-2 0.1021 0.2021 -0.013 1 0.0
