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#$Date: 2015-10-14 17:26:19 +0300 (Wed, 14 Oct 2015) $
#$Revision: 168643 $
#$URL: svn://www.crystallography.net/cod/cif/1/53/96/1539660.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_1539660
loop_
_publ_author_name
'Calestani, G.'
'Bacca, G.'
'Andreetti, G.D.'
_publ_section_title
;
 Structural study of zeolite X exchanged with 'f' transition elements.Part
 I. Crystal structure of reference hydrated Na-X
;
_journal_name_full               Zeolites
_journal_page_first              54
_journal_page_last               58
_journal_volume                  7
_journal_year                    1987
_chemical_formula_sum            'Al88.032 Na83.056 O522.56 Si103.968'
_chemical_name_systematic        'Na88 (Al88 Si104 O386) (H2 O)194.54'
_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                   25.031
_cell_length_b                   25.031
_cell_length_c                   25.031
_cell_volume                     15683.197
_citation_journal_id_ASTM        ZEOLD3
_cod_data_source_file            Calestani_ZEOLD3_1987_449.cif
_cod_data_source_block           Al88.032Na83.056O522.56Si103.968
_cod_original_cell_volume        15683.2
_cod_database_code               1539660
loop_
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x,y,z
-x+1/4,-y+1/4,z
x,-y+1/4,-z+1/4
-x+1/4,y,-z+1/4
z,x,y
-z+1/4,-x+1/4,y
z,-x+1/4,-y+1/4
-z+1/4,x,-y+1/4
y,z,x
y,-z+1/4,-x+1/4
-y+1/4,z,-x+1/4
-y+1/4,-z+1/4,x
-x,-y,-z
x-1/4,y-1/4,-z
-x,y-1/4,z-1/4
x-1/4,-y,z-1/4
-z,-x,-y
z-1/4,x-1/4,-y
-z,x-1/4,y-1/4
z-1/4,-x,y-1/4
-y,-z,-x
-y,z-1/4,x-1/4
y-1/4,-z,x-1/4
y-1/4,z-1/4,-x
x,y+1/2,z+1/2
-x+1/4,-y+3/4,z+1/2
x,-y+3/4,-z+3/4
-x+1/4,y+1/2,-z+3/4
z,x+1/2,y+1/2
-z+1/4,-x+3/4,y+1/2
z,-x+3/4,-y+3/4
-z+1/4,x+1/2,-y+3/4
y,z+1/2,x+1/2
y,-z+3/4,-x+3/4
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-y+1/4,-z+3/4,x+1/2
-x,-y+1/2,-z+1/2
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-x,y+1/4,z+1/4
x-1/4,-y+1/2,z+1/4
-z,-x+1/2,-y+1/2
z-1/4,x+1/4,-y+1/2
-z,x+1/4,y+1/4
z-1/4,-x+1/2,y+1/4
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-y+3/4,-z+1/4,x+1/2
-x+1/2,-y,-z+1/2
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-x+1/2,y-1/4,z+1/4
x+1/4,-y,z+1/4
-z+1/2,-x,-y+1/2
z+1/4,x-1/4,-y+1/2
-z+1/2,x-1/4,y+1/4
z+1/4,-x,y+1/4
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-y+1/2,z-1/4,x+1/4
y+1/4,-z,x+1/4
y+1/4,z-1/4,-x+1/2
x+1/2,y+1/2,z
-x+3/4,-y+3/4,z
x+1/2,-y+3/4,-z+1/4
-x+3/4,y+1/2,-z+1/4
z+1/2,x+1/2,y
-z+3/4,-x+3/4,y
z+1/2,-x+3/4,-y+1/4
-z+3/4,x+1/2,-y+1/4
y+1/2,z+1/2,x
y+1/2,-z+3/4,-x+1/4
-y+3/4,z+1/2,-x+1/4
-y+3/4,-z+3/4,x
-x+1/2,-y+1/2,-z
x+1/4,y+1/4,-z
-x+1/2,y+1/4,z-1/4
x+1/4,-y+1/2,z-1/4
-z+1/2,-x+1/2,-y
z+1/4,x+1/4,-y
-z+1/2,x+1/4,y-1/4
z+1/4,-x+1/2,y-1/4
-y+1/2,-z+1/2,-x
-y+1/2,z+1/4,x-1/4
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
O6 O-2 0.284 0.284 0.284 0.17 0.0
Na2 Na+1 0.0661 0.0661 0.0661 0.625 0.0
Al1 Al+3 0.037 -0.0536 0.1229 0.917 0.0
O2 O-2 -0.0043 -0.0028 0.1438 1 0.0
Na4 Na+1 0.2115 0.0792 -0.1706 0.24 0.0
O3 O-2 0.0725 -0.0323 0.068 1 0.0
O8 O-2 0.251 -0.0073 -0.1104 0.29 0.0
O10 O-2 0.2741 0.0484 -0.1535 0.31 0.0
O1 O-2 0.0007 -0.1105 0.1055 1 0.0
O9 O-2 0.1539 0.152 -0.1894 0.5 0.0
Na3 Na+1 0 0 0 0.563 0.0
Si1 Si+4 0.1249 -0.0528 0.0351 1 0.0
Na1 Na+1 0.2363 0.2363 0.2363 0.969 0.0
O4 O-2 0.0773 -0.0708 0.1759 1 0.0
Si2 Si+4 0.037 -0.0536 0.1229 0.083 0.0
O7 O-2 0.2279 0.0081 -0.153 0.22 0.0
O5 O-2 0.1631 0.1631 0.1631 0.2 0.0
