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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
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CC=99718
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Title
Further crystallographic confirmation that Cs(+) ions can occupy sodalite cavities and double six-rings. Crystal structure of fully dehydrated partially Cs(+)-exchanged zeolite X, (Cs45 Na47) (Si100 Al92 O384) - FAU.
Authors
Ryu Kum Sook; Bae Myung Nam; Kim Yang; Seff, K.
Reference
Microporous and Mesoporous Materials (2004)
71
, 65-75
Link
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Compound
Al92 Cs45.3 Na46.7 O384 Si100
-
[Zeolite X]
Caesium sodium tecto-alumosilicate *
[
A44B49C92D100X384
] [
cF668
] [
g9 f e4 c
] [
]
Cell
24.898(10), 24.898(10), 24.898(10), 90, 90, 90
FD3-Z (203)
V=15434.53
Remarks
R=0.066000 : M =Zeolite X : T =294 : D
The coordinates are those given in the paper but the atomic distances do not agree with those calculated during testing.The coordinates are probably correct.
Atom (site) Oxid.
x, y, z, B, Occupancy
Si1
(96g)
4
Al1
(96g)
3
Si2
(96g)
4
O1
(96g)
-2
O2
(96g)
-2
O3
(96g)
-2
O4
(96g)
-2
Na1
(16c)
1
Na2
(32e)
1
Na3
(96g)
1
Cs1
(16c)
1
Cs2
(32e)
1
Cs3
(32e)
1
Cs4
(32e)
1
Cs5
(48f)
1
Cs6
(96g)
1
-0.0
0.12
0.03
0
1
-0.0
0.03
0.12
0
0.95
-0.0
0.12
0.03
0
0.04
0.88
0.00
0.10
0
1
-0.0
-0.0
0.14
0
1
-0.0
0.06
0.06
0
1
-0.0
0.08
0.17
0
1
0.
0.
0.
0.01
0.88
0.22
0.22
0.22
0
0.84
0.40
0.05
0.12
0.03
0.05
0.
0.
0.
0.01
0.11
0.09
0.09
0.09
0
0.06
0.16
0.16
0.16
0
0.15
0.26
0.26
0.26
0
0.15
0.42
0.12
0.12
0
0.62
0.45
0.07
0.07
0.13
0.01
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Si1
(96g)
4
Al1
(96g)
3
Si2
(96g)
4
O1
(96g)
-2
O2
(96g)
-2
O3
(96g)
-2
O4
(96g)
-2
Na1
(16c)
1
Na2
(32e)
1
Na3
(96g)
1
Cs1
(16c)
1
Cs2
(32e)
1
Cs3
(32e)
1
Cs4
(32e)
1
Cs5
(48f)
1
Cs6
(96g)
1
.014
.015
.009
-.00
-.00
-.00
.011
.010
.010
-.00
-.00
-.00
.011
.010
.010
-.00
-.00
-.00
.024
.040
.025
-.00
.002
-.00
.019
.027
.011
.004
-.00
-.01
.027
.015
.019
.011
.005
.000
.013
.019
.025
-.00
-.00
-.00
0
0
0
0
0
0
.066
.066
.066
.046
.046
.046
0
0
0
0
0
0
0
0
0
0
0
0
.071
.071
.071
-.02
-.02
-.02
.071
.071
.071
-.00
-.00
-.00
.029
.029
.029
.000
.000
.000
.024
.085
.093
0.
0.
-.01
0
0
0
0
0
0
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