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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 Help
TitleCrystal structure of fully dehydrated fully Tl(+)-exchanged zeolite X.
AuthorsKim, Y.;Han, Y.W.;Seff, K.
ReferenceZeolites (1997) 18, 325-333
Link XRef SCOPUS Google
CompoundAl92 O384 Si100 Tl92 - [Zeolite X] Thallium aluminium silicon oxide (92/92/100/384) [A23B24C24X96] [cF668] [g8 e2] []
Cell25.043(1), 25.043(1), 25.043(1), 90., 90., 90.
FD3-Z (203) V=15705.76
RemarksR=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
-.050.030.1201
-.050.120.0300.95
-.050.120.0300.04
0.890.000.1001
-.00-.000.1401
-.030.070.0701
-.070.070.1701
0.070.070.0701
0.250.250.2501
0.400.110.1300.16
0.410.070.0600.12
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
0.000.000.00-.00-.000.00
0.010.010.000.00-.00-.00
0.010.010.000.00-.00-.00
0.010.030.01-.000.00-.00
0.010.010.010.00-.00-.00
0.020.000.010.000.000.00
0.020.010.020.00-.01-.02
0.020.020.02-.00-.00-.00
0.020.020.02-.00-.00-.00
0.010.140.07-.010.00-.02
0.010.310.390.010.010.09

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