#------------------------------------------------------------------------------
#$Date: 2016-02-18 16:37:37 +0100 (jue 18 de feb de 2016) $
#$Revision: 176729 $
#$URL: svn://www.crystallography.net/cod/cif/1/50/99/1509950.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_1509950
loop_
_publ_author_name
'Kim, Y.'
'Seff, K.'
_publ_section_title
;
 The crystal structure of zeolite A exchanged with Ag+ and Tl+, Ag6.5
 Tl5.5 A, evacuated at 400 degree C. A partial mechanism for the
 intrazeolitic reduction of Ag+ to form hexasilver
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              1307
_journal_page_last               1311
_journal_paper_doi               10.1021/j100500a022
_journal_volume                  82
_journal_year                    1978
_chemical_formula_sum            'Ag6.5 Al12 O48 Si12 Tl5.5'
_chemical_name_systematic        'Ag6.5 Tl5.5 Si12 Al12 O48'
_space_group_IT_number           221
_symmetry_space_group_name_Hall  '-P 4 2 3'
_symmetry_space_group_name_H-M   'P m -3 m'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   12.245
_cell_length_b                   12.245
_cell_length_c                   12.245
_cell_volume                     1836.016
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            silver3-x_246.cif
_cod_data_source_block           Ag6.5Al12O48Si12Tl5.5
_cod_database_code               1509950
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-y,x,z
-x,-y,z
y,-x,z
x,-y,-z
y,x,-z
-x,y,-z
-y,-x,-z
z,x,y
-x,z,y
-z,-x,y
x,-z,y
z,-x,-y
x,z,-y
-z,x,-y
-x,-z,-y
y,z,x
y,-z,-x
z,y,-x
-y,z,-x
-z,-y,-x
-y,-z,x
z,-y,x
-z,y,x
-x,-y,-z
y,-x,-z
x,y,-z
-y,x,-z
-x,y,z
-y,-x,z
x,-y,z
y,x,z
-z,-x,-y
x,-z,-y
z,x,-y
-x,z,-y
-z,x,y
-x,-z,y
z,-x,y
x,z,y
-y,-z,-x
-y,z,x
-z,-y,x
y,-z,x
z,y,x
y,z,-x
-z,y,-x
z,-y,-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
O3 O-2 0.1112 0.1112 0.3329 1 0.0
O1 O-2 0 0.2117 0.5 1 0.0
Tl3 Tl+1 0.289 0.4341 0.5 0.0625 0.0
Ag1 Ag+1 0.1884 0.1884 0.1884 0.5 0.0
Tl1 Tl+1 0.2598 0.2598 0.2598 0.3125 0.0
Tl2 Tl+1 0 0.4513 0.4513 0.125 0.0
Ag2 Ag+1 0.1289 0.1289 0.1289 0.1875 0.0
Ag3 Ag+1 0 0 0.1512 0.1667 0.0
O2 O-2 0 0.3 0.3 1 0.0
Al1 Al+3 0 0.1833 0.3685 0.5 0.0
Si1 Si+4 0 0.1833 0.3685 0.5 0.0
