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#$Date: 2015-10-10 01:43:38 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163716 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536113.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_1536113
loop_
_publ_author_name
'Jeanjean, J.'
'Dereigne, A.'
'Aouali, L.'
'Delafosse, D.'
_publ_section_title
;
 Crystal structure of different dealuminated Y-type zeolites.
 Determination of framework, vacancies and non-framework species
;
_journal_name_full
'Journal of the Chemical Society. Faraday Transactions 1.'
_journal_page_first              2771
_journal_page_last               2783
_journal_volume                  85
_journal_year                    1989
_chemical_formula_sum            'Al2.6 O19.5 Si7.8'
_chemical_name_systematic        'Al1.04 (Al1.56 Si7.8 O19.5)'
_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            16
_cell_length_a                   24.62999
_cell_length_b                   24.62999
_cell_length_c                   24.62999
_cell_volume                     14941.449
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Jeanjean_JCFTAR_1989_1549.cif
_cod_data_source_block           Al2.6O19.5Si7.8
_cod_original_cell_volume        14941.45
_cod_database_code               1536113
loop_
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-y,x+1/4,z+1/4
-x+3/4,-y+1/4,z+1/2
y+3/4,-x,z+3/4
x,-y+1/4,-z+1/4
y+3/4,x+1/4,-z+1/2
-x+3/4,y,-z+3/4
-y,-x,-z
z,x,y
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x+3/4,-z,y+3/4
z,-x+1/4,-y+1/4
x+3/4,z+1/4,-y+1/2
-z+3/4,x,-y+3/4
-x,-z,-y
y,z,x
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z+1/4,y+3/4,-x+1/2
-y+1/4,z+1/2,-x+3/4
-z,-y+1/2,-x+1/2
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z+1/4,-y,x+1/4
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-x,-y,-z
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x-3/4,y-1/4,-z-1/2
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-x,y-1/4,z-1/4
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y,x,z
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x,z,y
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z,y-1/2,x-1/2
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x,y+1/2,z+1/2
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-z+1/2,y+3/4,x+5/4
-x,-y+1/2,-z+1/2
y,-x+1/4,-z+1/4
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-y-3/4,x+1/2,-z-1/4
-x,y+1/4,z+1/4
-y-3/4,-x+1/4,z
x-3/4,-y+1/2,z-1/4
y,x+1/2,z+1/2
-z,-x+1/2,-y+1/2
x,-z+1/4,-y+1/4
z-3/4,x+1/4,-y
-x-3/4,z+1/2,-y-1/4
-z,x+1/4,y+1/4
-x-3/4,-z+1/4,y
z-3/4,-x+1/2,y-1/4
x,z+1/2,y+1/2
-y,-z+1/2,-x+1/2
-y-1/2,z-1/4,x+1/4
-z-1/4,-y-1/4,x
y-1/4,-z,x-1/4
z,y,x
y-1/4,z+1/4,-x+1/2
-z-1/4,y+1/2,-x+1/4
z-1/2,-y+1/4,-x-1/4
x+1/2,y,z+1/2
-y+1/2,x+1/4,z+3/4
-x+5/4,-y+1/4,z+1
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-z+5/4,x,-y+5/4
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z+1/2,y-1/2,x
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z+1/2,x+1/2,y
-x+1/2,z+3/4,y+1/4
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y+1/2,z+1/2,x
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z+3/4,y+5/4,-x+1/2
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-x+1/2,y+1/4,z-1/4
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z-1/4,x+1/4,-y-1/2
-x-1/4,z+1/2,-y-3/4
-z+1/2,x+1/4,y-1/4
-x-1/4,-z+1/4,y-1/2
z-1/4,-x+1/2,y-3/4
x+1/2,z+1/2,y
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-y,z-1/4,x-1/4
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y+1/4,-z,x-3/4
z+1/2,y,x-1/2
y+1/4,z+1/4,-x
-z+1/4,y+1/2,-x-1/4
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
Al4 Al+3 0.254 0.254 0.254 0.18 0.0
Al1 Al+3 0.1263 -0.0526 0.0341 0.13 0.0
O1 O-2 0.1071 -0.1071 0 0.76 0.0
O2 O-2 -0.0043 -0.0043 0.1438 1 0.0
Si1 Si+4 0.1263 -0.0526 0.0341 0.65 0.0
Al2 Al+3 0.081 0.081 0.081 0.13 0.0
O3 O-2 0.1747 0.1747 -0.0278 0.75 0.0
O4 O-2 0.1721 0.1721 0.3129 0.74 0.0
Al3 Al+3 0.147 0.147 0.147 0.21 0.0
