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#$Date: 2015-10-09 22:32:27 +0300 (Fri, 09 Oct 2015) $
#$Revision: 162952 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/55/1535545.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_1535545
loop_
_publ_author_name
'Mortier, W.J.'
'Uytterhoeven, J.B.'
'Costenoble, M.L.'
_publ_section_title
;
 Location of cations in synthetic zeolites X and Y. III.
 Potasium-alkylammonium Y zeolites
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              2880
_journal_page_last               2885
_journal_volume                  77
_journal_year                    1973
_chemical_formula_sum            'Al54.7008 K36.928 O405.808 Si137.299'
_chemical_name_systematic
;
((C3 H7) N H3)18.8 K35.9 Al54.7 Si137.3 O384 (H2 O)101
;
_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                   24.754
_cell_length_b                   24.754
_cell_length_c                   24.754
_cell_volume                     15168.274
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Mortier_JPCHAX_1973_1721.cif
_cod_data_source_block           Al54.7008K36.928O405.808Si137.299
_cod_original_cell_volume        15168.27
_cod_database_code               1535545
loop_
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z,x,y
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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 0.108 -0.108 0 1 0.0
K3 K+1 0.262 0.262 0.262 0.47 0.0
K1 K+1 0 0 0 0.338 0.0
K2 K+1 0.0778 0.0778 0.0778 0.515 0.0
O7 O-2 0.375 0.375 0.375 1 0.0
O5 O-2 -0.125 -0.125 0.238 0.121 0.0
O6 O-2 0.125 0.125 0.125 1 0.0
Si1 Si+4 0.1245 0.9445 0.0346 0.7151 0.0
O3 O-2 0.1688 0.1688 0.9684 1 0.0
O2 O-2 0.2491 0.2491 0.1397 1 0.0
Al1 Al+3 0.1245 0.9445 0.0346 0.2849 0.0
O4 O-2 0.1795 0.1795 0.3232 1 0.0
