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#$Date: 2016-02-13 21:28:24 +0200 (Sat, 13 Feb 2016) $
#$Revision: 176429 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/02/1540287.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_1540287
loop_
_publ_author_name
'Lievens, J.L.'
'Chao, K.-J.'
'Mortier, W.J.'
_publ_section_title
;
 Cation site energies in high-silica fau-type zeolites
;
_journal_name_full               'Journal of Physics and Chemistry of Solids'
_journal_page_first              1163
_journal_page_last               1169
_journal_volume                  53
_journal_year                    1992
_chemical_formula_sum            'Al17.6 H10.6 Na8.48 O384 Si174.4'
_chemical_name_systematic        'Na8.48 H10.6 (Al17.6 Si174.4 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                   24.283
_cell_length_b                   24.283
_cell_length_c                   24.283
_cell_volume                     14318.813
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Lievens_JPCSAW_1992_1566.cif
_cod_data_source_block           H10.6Al17.6Na8.48O384Si174.4
_cod_original_cell_volume        14318.81
_cod_original_formula_sum        'H10.6 Al17.6 Na8.48 O384 Si174.4'
_cod_database_code               1540287
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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
Al1 Al+3 0.1269 0.9442 0.0357 0.0917 0.0
O2 O-2 0.2548 0.2548 0.1422 1 0.0
O3 O-2 0.1754 0.1754 0.965 1 0.0
Si1 Si+4 0.1269 0.9442 0.0357 0.9083 0.0
O1 O-2 0.1067 -0.1067 0 1 0.0
O4 O-2 0.1805 0.1805 0.3182 1 0.0
Na3 Na+1 0 0 0 0.01 0.0
Na1 Na+1 0.23 0.23 0.23 0.17 0.0
Na2 Na+1 0.071 0.071 0.071 0.09 0.0
