#------------------------------------------------------------------------------
#$Date: 2015-07-10 13:06:28 +0300 (Fri, 10 Jul 2015) $
#$Revision: 141703 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521492.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_1521492
loop_
_publ_author_name
'Lee, S.H.'
'Kim, Y.'
_publ_section_title
;
 Two crystal structures of dehydrated Zn(2+)-exchanged zeolite X: Zn46
 Si100 Al92 O384 . 8(Zn O) and Zn13 Tl66 Si100 Al92 O384 . 2(ZnO)
;
_journal_name_full               'Bulletin of the Korean Chemical Society'
_journal_page_first              180
_journal_page_last               186
_journal_volume                  21
_journal_year                    2000
_chemical_formula_sum            'Al92 O386 Si100 Tl66 Zn15'
_chemical_name_systematic        'Zn13 Tl66 Si100 Al92 O384 (Zn O)2'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.984
_cell_length_b                   24.984
_cell_length_c                   24.984
_cell_volume                     15595.019
_citation_journal_id_ASTM        BKCSDE
_cod_data_source_file            Lee_BKCSDE_2000_961.cif
_cod_data_source_block           Al92O386Si100Tl66Zn15
_cod_original_cell_volume        15595.02
_cod_database_code               1521492
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
z,x,y
-z+1/4,-x+1/4,y
z,-x+1/4,-y+1/4
-z+1/4,x,-y+1/4
y,z,x
y,-z+1/4,-x+1/4
-y+1/4,z,-x+1/4
-y+1/4,-z+1/4,x
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
-z,-x,-y
z-1/4,x-1/4,-y
-z,x-1/4,y-1/4
z-1/4,-x,y-1/4
-y,-z,-x
-y,z-1/4,x-1/4
y-1/4,-z,x-1/4
y-1/4,z-1/4,-x
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
z,x+1/2,y+1/2
-z+1/4,-x+3/4,y+1/2
z,-x+3/4,-y+3/4
-z+1/4,x+1/2,-y+3/4
y,z+1/2,x+1/2
y,-z+3/4,-x+3/4
-y+1/4,z+1/2,-x+3/4
-y+1/4,-z+3/4,x+1/2
-x,-y+1/2,-z+1/2
x-1/4,y+1/4,-z+1/2
-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
-z,-x+1/2,-y+1/2
z-1/4,x+1/4,-y+1/2
-z,x+1/4,y+1/4
z-1/4,-x+1/2,y+1/4
-y,-z+1/2,-x+1/2
-y,z+1/4,x+1/4
y-1/4,-z+1/2,x+1/4
y-1/4,z+1/4,-x+1/2
x+1/2,y,z+1/2
-x+3/4,-y+1/4,z+1/2
x+1/2,-y+1/4,-z+3/4
-x+3/4,y,-z+3/4
z+1/2,x,y+1/2
-z+3/4,-x+1/4,y+1/2
z+1/2,-x+1/4,-y+3/4
-z+3/4,x,-y+3/4
y+1/2,z,x+1/2
y+1/2,-z+1/4,-x+3/4
-y+3/4,z,-x+3/4
-y+3/4,-z+1/4,x+1/2
-x+1/2,-y,-z+1/2
x+1/4,y-1/4,-z+1/2
-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
-z+1/2,-x,-y+1/2
z+1/4,x-1/4,-y+1/2
-z+1/2,x-1/4,y+1/4
z+1/4,-x,y+1/4
-y+1/2,-z,-x+1/2
-y+1/2,z-1/4,x+1/4
y+1/4,-z,x+1/4
y+1/4,z-1/4,-x+1/2
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
z+1/2,x+1/2,y
-z+3/4,-x+3/4,y
z+1/2,-x+3/4,-y+1/4
-z+3/4,x+1/2,-y+1/4
y+1/2,z+1/2,x
y+1/2,-z+3/4,-x+1/4
-y+3/4,z+1/2,-x+1/4
-y+3/4,-z+3/4,x
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
-z+1/2,-x+1/2,-y
z+1/4,x+1/4,-y
-z+1/2,x+1/4,y-1/4
z+1/4,-x+1/2,y-1/4
-y+1/2,-z+1/2,-x
-y+1/2,z+1/4,x-1/4
y+1/4,-z+1/2,x-1/4
y+1/4,z+1/4,-x
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
Tl1 Tl+1 0.0736 0.0736 0.0736 0.5937 0.0
O3 O-2 -0.0266 0.073 0.0706 1 0.0
Si2 Si+4 -0.0533 0.0369 0.1239 0.0417 0.0
O1 O-2 0.8958 -0.0004 0.1023 1 0.0
Zn1 Zn+2 0.0409 0.0409 0.0409 0.4062 0.0
Si1 Si+4 -0.0524 0.1247 0.0357 1 0.0
Tl2 Tl+1 0.2532 0.2532 0.2532 0.9375 0.0
O2 O-2 -0.0014 -0.0013 0.1459 1 0.0
Tl3 Tl+1 0.41 0.1115 0.1377 0.1458 0.0
Zn2 Zn+2 0.199 0.199 0.199 0.0625 0.0
O4 O-2 -0.0715 0.0773 0.1744 1 0.0
Al1 Al+3 -0.0533 0.0369 0.1239 0.9583 0.0
Tl4 Tl+1 0.4165 0.0824 0.0873 0.0313 0.0
