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#$Date: 2016-01-01 13:55:20 +0200 (Fri, 01 Jan 2016) $
#$Revision: 172155 $
#$URL: svn://www.crystallography.net/cod/cif/1/54/09/1540964.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_1540964
loop_
_publ_author_name
'Shepelev, Yu.F.'
'Butikova, I.K.'
'Smolin, Yu.I.'
_publ_section_title
;
 Crystal structures of the partially K-, Rb-, and Cs-exchanged forms of
 NaX zeolite in both the hydrated and the dehydrated (400 C) states
;
_journal_name_full               Zeolites
_journal_page_first              287
_journal_page_last               292
_journal_volume                  11
_journal_year                    1991
_chemical_formula_sum            'Al96 K57.44 Na42.76 O384 Si96'
_chemical_name_systematic        'K57.44 Na42.76 (Al96 Si96 O384)'
_space_group_IT_number           203
_symmetry_space_group_name_Hall  '-F 2uv 2vw 3'
_symmetry_space_group_name_H-M   'F d -3 :2'
_cell_angle_alpha                90
_cell_angle_beta                 90
_cell_angle_gamma                90
_cell_formula_units_Z            1
_cell_length_a                   24.86
_cell_length_b                   24.86
_cell_length_c                   24.86
_cell_volume                     15363.967
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Shepelev_ZEOLD3_1991_1418.cif
_cod_data_source_block           Al96K57.44Na42.76O384Si96
_cod_original_cell_volume        15363.97
_cod_database_code               1540964
loop_
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x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
z,x,y
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z-1/4,-x,y-1/4
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y+1/4,-z+1/2,x-1/4
y+1/4,z+1/4,-x
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
K1 K+1 0.07 0.07 0.07 0.19 0.0
K6 K+1 0.875 0.086 0.375 0.05 0.0
Na1 Na+1 0 0 0 0.675 0.0
K2 K+1 0.156 0.156 0.156 0.13 0.0
K4 K+1 0.2567 0.2567 0.2567 0.58 0.0
K3 K+1 0.171 0.171 0.171 0.16 0.0
Na4 Na+1 0.669 0.044 0.321 0.11 0.0
K5 K+1 0.824 0.051 0.189 0.16 0.0
Si1 Si+4 -0.0543 0.0345 0.1242 1 0.0
O2 O-2 -0.0035 -0.0028 0.1449 1 0.0
O3 O-2 -0.0325 0.0633 0.0708 1 0.0
Na2 Na+1 0.063 0.063 0.063 0.3188 0.0
O1 O-2 -0.1062 -0.0014 0.1113 1 0.0
K7 K+1 0.854 0.046 0.31 0.06 0.0
Na3 Na+1 0.231 0.231 0.231 0.35 0.0
Al1 Al+3 -0.0544 0.1232 0.0369 1 0.0
O4 O-2 -0.0713 0.0741 0.1721 1 0.0
