#------------------------------------------------------------------------------
#$Date: 2015-07-12 17:41:07 +0300 (Sun, 12 Jul 2015) $
#$Revision: 146877 $
#$URL: svn://www.crystallography.net/cod/cif/4/12/39/4123959.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_4123959
loop_
_publ_author_name
'Liu, Z.'
'Diaz-Cabanas, M.J.'
'Ohsuna, T.'
'Terasaki, O.'
'Hiraga, K.'
'Camblor, M.A.'
_publ_section_title
;
 The first zeolite with three-dimensional intersecting straight-channel
 system of 12-membered rings
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              5370
_journal_page_last               5371
_journal_volume                  123
_journal_year                    2001
_chemical_formula_sum            'O64 Si32'
_chemical_name_systematic        '(Si O2)32'
_space_group_IT_number           131
_symmetry_space_group_name_Hall  '-P 4c 2'
_symmetry_space_group_name_H-M   'P 42/m m c'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   13.1
_cell_length_b                   13.1
_cell_length_c                   13.8
_cell_volume                     2368.218
_citation_journal_id_ASTM        JACSAT
_cod_data_source_file            Liu_JACSAT_2001_1113.cif
_cod_data_source_block           O64Si32
_cod_database_code               4123959
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z+1/2
-x,-y,z
y,-x,z+1/2
x,-y,-z
y,x,-z+1/2
-x,y,-z
-y,-x,-z+1/2
-x,-y,-z
y,-x,-z-1/2
x,y,-z
-y,x,-z-1/2
-x,y,z
-y,-x,z-1/2
x,-y,z
y,x,z-1/2
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
O3 O-2 0.141 0.354 0 1 0.0
O6 O-2 0.5 0.352 0 1 0.0
O2 O-2 0.204 0.325 0.19 1 0.0
Si2 Si+4 0.5 0.378 0.115 1 0.0
O7 O-2 0.5 0.5 0.129 1 0.0
Si1 Si+4 0.12 0.377 0.116 1 0.0
O5 O-2 0 0.351 0.139 1 0.0
O4 O-2 0.5 0.132 0.629 1 0.0
O1 O-2 0.401 0.328 0.17 1 0.0
Si3 Si+4 0.312 0.312 0.25 1 0.0
