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#$Date: 2015-07-11 22:45:33 +0300 (Sat, 11 Jul 2015) $
#$Revision: 145954 $
#$URL: svn://www.crystallography.net/cod/cif/1/52/50/1525061.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_1525061
loop_
_publ_author_name
'Pearce, J.R.'
'Mortier, W.J.'
'Lunsford, J.H.'
'Uytterhoeven, J.B.'
_publ_section_title
;
 Crystallographic study of the distribution of cations in Y-type zeolites
 containing Fe(II) and Fe(III)
;
_journal_name_full
'Journal of the Chemical Society. Faraday Transactions 1.'
_journal_page_first              937
_journal_page_last               946
_journal_volume                  77
_journal_year                    1981
_chemical_formula_sum            'Al56.0064 Fe7.36 Na17.92 O384 Si135.994'
_chemical_name_systematic
'Fe14.36 Na27.92 (Al56 Si136 O384) (H2 O)47 H.64'
_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                   24.71999
_cell_length_b                   24.71999
_cell_length_c                   24.71999
_cell_volume                     15105.840
_citation_journal_id_ASTM        JCFTAR
_cod_data_source_file            Pearce_JCFTAR_1981_371.cif
_cod_data_source_block           Al56.0064Fe7.36Na17.92O384Si135.994
_cod_original_cell_volume        15105.84
_cod_database_code               1525061
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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
O1 O-2 0.106 -0.106 0 1 0.0
O3 O-2 0.18 0.18 0.971 1 0.0
Fe1 Fe+2 0.055 0.055 0.055 0.23 0.0
Si1 Si+4 0.1246 0.9461 0.0372 0.7083 0.0
O4 O-2 0.176 0.176 0.316 1 0.0
Na1 Na+1 0.238 0.238 0.238 0.56 0.0
Al1 Al+3 0.1246 0.9461 0.0372 0.2917 0.0
O2 O-2 0.253 0.253 0.143 1 0.0
