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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/1/53/04/1530443.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_1530443
loop_
_publ_author_name
'Mortier, W.J.'
'van den Bossche, E.'
'Uytterhoeven, J.B.'
_publ_section_title
;
 Influence of the temperature and water adsorption on the cation location
 in Na-Y zeolites
;
_journal_name_full               Zeolites
_journal_page_first              41
_journal_page_last               44
_journal_volume                  4
_journal_year                    1984
_chemical_formula_sum            'Al57 H48 Na27 O408 Si135'
_chemical_name_systematic        'Na27 (Al57 Si135 O384) (H2 O)24'
_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                   24.66
_cell_length_b                   24.66
_cell_length_c                   24.66
_cell_volume                     14996.131
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Mortier_ZEOLD3_1984_978.cif
_cod_data_source_block           H48Al57Na27O408Si135
_cod_original_cell_volume        14996.13
_cod_original_formula_sum        'H48 Al57 Na27 O408 Si135'
_cod_database_code               1530443
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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
Na1 Na+1 0 0 0 0.16 0.0
O3 O-2 0.1758 0.1758 0.9695 1 0.0
Al1 Al+3 0.1242 0.9459 0.0363 0.2969 0.0
O1 O-2 0.1081 -0.1081 0 1 0.0
O5 O-2 0.1648 0.1648 0.1648 0.77 0.0
O4 O-2 0.1813 0.1813 0.325 1 0.0
O2 O-2 0.2514 0.2514 0.1428 1 0.0
Si1 Si+4 0.1242 0.9459 0.0363 0.7031 0.0
Na3 Na+1 0.2421 0.2421 0.2421 0.42 0.0
Na2 Na+1 0.0707 0.0707 0.0707 0.34 0.0
