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#$URL: svn://www.crystallography.net/cod/cif/1/53/18/1531892.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_1531892
loop_
_publ_author_name
'Mortier, W.J.'
'Bosmans, H.J.'
_publ_section_title
;
 Location of univalent cations in synthetic zeolites of the Y and X Type
 with varying silicon to aluminium ratio. I. Hydrated potassium exchanged
 forms
;
_journal_name_full               'Journal of Physical Chemistry'
_journal_page_first              3327
_journal_page_last               3334
_journal_volume                  75
_journal_year                    1971
_chemical_formula_sum            'Al6.84 H4 K6.84 O50 Si17.16'
_chemical_name_systematic        'K6.84 (Al6.84 Si17.16 O48) (H2 O)2'
_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            8
_cell_length_a                   24.731
_cell_length_b                   24.731
_cell_length_c                   24.731
_cell_volume                     15126.033
_citation_journal_id_ASTM        JPCHAX
_cod_data_source_file            Mortier_JPCHAX_1971_147.cif
_cod_data_source_block           H4Al6.84K6.84O50Si17.16
_cod_original_cell_volume        15126.03
_cod_original_formula_sum        'H4 Al6.84 K6.84 O50 Si17.16'
_cod_database_code               1531892
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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
K2 K+1 0.0802 0.0802 0.0802 0.414 0.0
K4 K+1 0.375 0.375 0.375 2.5 0.0
O3 O-2 0.1738 0.1738 0.9652 1 0.0
O1 O-2 0.1089 -0.1089 0 1 0.0
O6 O-2 0.125 0.125 0.125 1 0.0
Al1 Al+3 0.1254 0.9454 0.0367 0.285 0.0
O5 O-2 0.125 0.625 0.125 1 0.0
K1 K+1 0 0 0 0.0834 0.0
O4 O-2 0.1802 0.1802 0.3268 1 0.0
K3 K+1 0.2574 0.2574 0.2574 0.629 0.0
O2 O-2 0.2498 0.2498 0.1409 1 0.0
Si1 Si+4 0.1254 0.9454 0.0367 0.715 0.0
