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#$Date: 2015-10-10 01:40:20 +0300 (Sat, 10 Oct 2015) $
#$Revision: 163701 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/61/1536101.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_1536101
loop_
_publ_author_name
'Jeanjean, J.'
'Dereigne, A.'
'Delafosse, D.'
'Aouali, L.'
_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            'Al2.96 O22.32 Si8.94'
_chemical_name_systematic        'Al1.22 (Al1.74 Si8.94 O22.32)'
_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                   24.48999
_cell_length_b                   24.48999
_cell_length_c                   24.48999
_cell_volume                     14688.107
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Jeanjean_JCFTAR_1989_1533.cif
_cod_data_source_block           Al2.96O22.32Si8.94
_cod_original_cell_volume        14688.11
_cod_database_code               1536101
loop_
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z,x,y
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-z,x+1/4,y+1/4
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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
Al2 Al+3 0.084 0.084 0.084 0.13 0.0
Al1 Al+3 0.1265 -0.0529 0.0345 0.145 0.0
O2 O-2 -0.0031 -0.0031 0.1385 0.96 0.0
O3 O-2 0.1772 0.1772 -0.0265 0.83 0.0
O4 O-2 0.173 0.173 0.31 0.98 0.0
Al4 Al+3 0.25 0.25 0.25 0.28 0.0
O1 O-2 0.1085 -0.1085 0 0.95 0.0
Si1 Si+4 0.1265 -0.0529 0.0345 0.745 0.0
Al3 Al+3 0.143 0.143 0.143 0.2 0.0
