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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/1/54/02/1540285.cif $
#------------------------------------------------------------------------------
#
# 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_1540285
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            'Al32.5 H1.8 Na31.2 O384 Si159.5'
_chemical_name_systematic        'Na31.2 H1.8 (Al32.5 Si159.5 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                   24.586
_cell_length_b                   24.586
_cell_length_c                   24.586
_cell_volume                     14861.534
_citation_journal_id_ASTM        JPCSAW
_cod_data_source_file            Lievens_JPCSAW_1992_1565.cif
_cod_data_source_block           H1.8Al32.5Na31.2O384Si159.5
_cod_original_cell_volume        14861.53
_cod_original_formula_sum        'H1.8 Al32.5 Na31.2 O384 Si159.5'
_cod_database_code               1540285
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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
Na3 Na+1 0 0 0 0.09 0.0
O3 O-2 0.1749 0.1749 0.9708 1 0.0
Al1 Al+3 0.1229 0.9456 0.0363 0.1693 0.0
O4 O-2 0.1819 0.1819 0.3185 1 0.0
O2 O-2 0.2527 0.2527 0.1431 1 0.0
Na1 Na+1 0.238 0.238 0.238 0.55 0.0
Si1 Si+4 0.1229 0.9456 0.0363 0.8307 0.0
Na2 Na+1 0.057 0.057 0.057 0.38 0.0
O1 O-2 0.1102 -0.1102 0 1 0.0
