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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=85443
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Title
Crystal structure of fully dehydrated fully Tl(+)-exchanged zeolite X.
Authors
Kim, Y.;Han, Y.W.;Seff, K.
Reference
Zeolites (1997)
18
, 325-333
Link
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Compound
Al92 O384 Si100 Tl92
-
[Zeolite X]
Thallium aluminium silicon oxide (92/92/100/384)
[
A23B24C24X96
] [
cF668
] [
g8 e2
] [
]
Cell
25.043(1), 25.043(1), 25.043(1), 90., 90., 90.
FD3-Z (203)
V=15705.76
Remarks
R=0.047000 : M =Zeolite X : T =295 : D
At least one temperature factor is implausible or meaningless but agrees with the value given in the paper.
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
Tl1
(32e)
1
Tl2
(32e)
1
Tl3
(96g)
1
Tl4
(96g)
1
-.05
0.03
0.12
0
1
-.05
0.12
0.03
0
0.95
-.05
0.12
0.03
0
0.04
0.89
0.00
0.10
0
1
-.00
-.00
0.14
0
1
-.03
0.07
0.07
0
1
-.07
0.07
0.17
0
1
0.07
0.07
0.07
0
1
0.25
0.25
0.25
0
1
0.40
0.11
0.13
0
0.16
0.41
0.07
0.06
0
0.12
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
Tl1
(32e)
1
Tl2
(32e)
1
Tl3
(96g)
1
Tl4
(96g)
1
0.00
0.00
0.00
-.00
-.00
0.00
0.01
0.01
0.00
0.00
-.00
-.00
0.01
0.01
0.00
0.00
-.00
-.00
0.01
0.03
0.01
-.00
0.00
-.00
0.01
0.01
0.01
0.00
-.00
-.00
0.02
0.00
0.01
0.00
0.00
0.00
0.02
0.01
0.02
0.00
-.01
-.02
0.02
0.02
0.02
-.00
-.00
-.00
0.02
0.02
0.02
-.00
-.00
-.00
0.01
0.14
0.07
-.01
0.00
-.02
0.01
0.31
0.39
0.01
0.01
0.09
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