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#$Date: 2015-09-06 20:27:55 +0300 (Sun, 06 Sep 2015) $
#$Revision: 154922 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529978.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_1529978
loop_
_publ_author_name
'Gellens, L.R.'
'Mortier, W.J.'
'Uytterhoeven, J.B.'
_publ_section_title
;
 On the nature of the charged silver clusters in zeolites of type A, X and
 Y
;
_journal_name_full               Zeolites
_journal_page_first              11
_journal_page_last               18
_journal_volume                  1
_journal_year                    1981
_chemical_formula_sum            'Ag5.99 Al12 Na4.1 O48 Si12'
_chemical_name_systematic        'Na4.1 Ag5.99 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                   12.32
_cell_length_b                   12.32
_cell_length_c                   12.32
_cell_volume                     1869.959
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Gellens_ZEOLD3_1981_969.cif
_cod_data_source_block           Ag5.99Al12Na4.1O48Si12
_cod_database_code               1529978
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
Si1 Si+4 0.1845 0.3694 0 0.5 0.0
Ag1 Ag+1 0.203 0.203 0.203 0.25 0.0
Ag3 Ag+1 0.4284 0.4284 0 0.09 0.0
O3 O-2 0.1133 0.1133 0.3269 1 0.0
Na1 Na+1 0.241 0.241 0.241 0.26 0.0
O1 O-2 0.2179 0.5 0 1 0.0
Na2 Na+1 0.4284 0.4284 0 0.18 0.0
O2 O-2 0.2976 0.2976 0 1 0.0
Ag4 Ag+1 0.1734 0 0 0.17 0.0
Ag2 Ag+1 0.183 0.183 0.183 0.24 0.0
Al1 Al+3 0.1845 0.3694 0 0.5 0.0
