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#$Date: 2015-07-10 13:05:17 +0300 (Fri, 10 Jul 2015) $
#$Revision: 141699 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/14/1521488.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_1521488
loop_
_publ_author_name
'Latturner, S.E.'
'Sachleben, J.'
'Iversen, B.B.'
'Stucky, G.D.'
'Hanson, J.C.'
_publ_section_title
;
 Covalent guest-framework interactions in heavy metal sodalites: structure
 and properties of thallium and silver sodalite
;
_journal_name_full               'J. Phys. Chem. B'
_journal_page_first              7135
_journal_page_last               7144
_journal_volume                  103
_journal_year                    1999
_chemical_formula_sum            'Al6 O24 Si6 Tl6'
_chemical_name_systematic        'Tl6 (Al Si O4)6'
_space_group_IT_number           218
_symmetry_space_group_name_Hall  'P -4n 2 3'
_symmetry_space_group_name_H-M   'P -4 3 n'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   8.9653
_cell_length_b                   8.9653
_cell_length_c                   8.9653
_cell_volume                     720.600
_citation_journal_id_ASTM        JPCBFK
_cod_data_source_file            Latturner_JPCBFK_1999_211.cif
_cod_data_source_block           Al6O24Si6Tl6
_cod_original_cell_volume        720.6003
_cod_database_code               1521488
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
y+1/2,-x+1/2,-z+1/2
-x,-y,z
-y+1/2,x+1/2,-z+1/2
x,-y,-z
-y+1/2,-x+1/2,z+1/2
-x,y,-z
y+1/2,x+1/2,z+1/2
z,x,y
x+1/2,-z+1/2,-y+1/2
-z,-x,y
-x+1/2,z+1/2,-y+1/2
z,-x,-y
-x+1/2,-z+1/2,y+1/2
-z,x,-y
x+1/2,z+1/2,y+1/2
y,z,x
y,-z,-x
-z+1/2,-y+1/2,x+1/2
-y,z,-x
z+1/2,y+1/2,x+1/2
-y,-z,x
-z+1/2,y+1/2,-x+1/2
z+1/2,-y+1/2,-x+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
O1 O-2 0.1474 0.4411 0.1413 1 0.0
Al1 Al+3 0.25 0.5 0 1 0.0
Tl1 Tl+1 0.14723 0.14723 0.14723 0.75 0.0
Si1 Si+4 0.25 0 0.5 1 0.0
