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#$Date: 2015-07-11 18:18:46 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145611 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/47/1524780.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_1524780
loop_
_publ_author_name
'de Boer, J.J.'
'Maxwell, I.E.'
_publ_section_title
;
 The crystal structure of hydrated thallium-exchanged zeolite X
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2395
_journal_page_last               2399
_journal_volume                  78
_journal_year                    1974
_chemical_formula_sum            'Al87.9936 O384 Si104.006 Tl45.76'
_chemical_name_systematic        'Tl88 (Al88 Si104 O384)'
_space_group_IT_number           227
_symmetry_space_group_name_Hall  '-F 4vw 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 m :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   25.089
_cell_length_b                   25.089
_cell_length_c                   25.089
_cell_volume                     15792.470
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            deBoer_JPCHAX_1974_41.cif
_cod_data_source_block           Al87.9936O384Si104.006Tl45.76
_cod_original_cell_volume        15792.47
_cod_database_code               1524780
loop_
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-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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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
Tl2 Tl+1 0.0053 -0.2553 0.0053 0.72 0.0
Si1 Si+4 0.0351 0.3011 0.1239 0.5417 0.0
O1 O-2 0 -0.106 0.106 1 0.0
O3 O-2 0.077 -0.033 0.077 1 0.0
O2 O-2 0.004 -0.144 0.004 1 0.0
Al1 Al+3 0.0351 0.3031 0.1239 0.4583 0.0
Tl1 Tl+1 0.0722 0.0722 0.0722 0.71 0.0
O4 O-2 0.072 0.325 0.072 1 0.0
