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#$Date: 2015-09-06 20:27:42 +0300 (Sun, 06 Sep 2015) $
#$Revision: 154921 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/99/1529977.cif $
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#
# 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_1529977
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            'Ag91.808 Al100.992 O384 Si91.008'
_chemical_name_systematic        'Ag101 Al101 Si91 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                   25.11
_cell_length_b                   25.11
_cell_length_c                   25.11
_cell_volume                     15832.159
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Gellens_ZEOLD3_1981_968.cif
_cod_data_source_block           Ag91.808Al100.992O384Si91.008
_cod_original_cell_volume        15832.16
_cod_database_code               1529977
loop_
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z,x,y
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z,-y+1/4,-x-3/4
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 0.1228 0.9469 0.0365 0.474 0.0
Ag1 Ag+1 0.2246 0.2246 0.2246 0.77 0.0
O3 O-2 0.1802 0.1802 0.9723 1 0.0
Ag2 Ag+1 0.1938 0.1938 0.1938 0.25 0.0
O1 O-2 0.1058 -0.1058 0 1 0.0
O4 O-2 0.1725 0.1725 0.3175 1 0.0
O2 O-2 0.2527 0.2527 0.1394 1 0.0
Ag4 Ag+1 0 0 0 0.95 0.0
Ag5 Ag+1 0.3464 0.3464 0.1594 0.198 0.0
Ag3 Ag+1 0.0726 0.0726 0.0726 0.78 0.0
Al1 Al+3 0.1228 0.9469 0.0365 0.526 0.0
