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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=78569 Help
TitleCrystal structure of encapsulates within zeolites. 1. Krypton in zeolite A.
AuthorsHeo, N.-H.;Cho, K.H.;Kim, J.T.;Seff, K.
ReferenceIC&volume=98&fpage=133&details=yes target=icsd_help>Journal of Physical Chemistry (1994) 98, 133-133
Link XRef SCOPUS Google
CompoundH1.14 Al12 Cs2.86 Kr5 Na8 O48 Si12 - [Zeolite A] Sodium caesium hydrogen tecto-alumosilicate * - krypton (1/5) [A3B8C24N5X48] [cP89] [m k j i h g3 c] []
Cell12.260(3), 12.260(3), 12.260(3), 90., 90., 90.
PM3-M (221) V=1842.77
RemarksR=0.050000 : M =Zeolite A : T =294 : D
Dehydrated at 623 K, 10exp-3 torr for 8 d, Kr sorption at 623 K

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(24k)4
Al1(24k)3
O1(12h)-2
O2(12i)-2
O3(24m)-2
Na1(8g)1
Cs1(3c)1
Kr1(8g)0
Kr2(12j)0
Kr3(8g)0
H1(8g)1
00.180.3700.5
00.180.3700.5
00.220.501
00.290.2901
0.110.110.3301
0.200.200.2001
00.50.500.95
0.040.040.0400.12
0.300.300.500.16
0.350.350.3500.25
00.14
Atom (site) Oxid. Beta11, Beta22, Beta33, Beta12, Beta13, Beta23
Si1(24k)4
Al1(24k)3
O1(12h)-2
O2(12i)-2
O3(24m)-2
Na1(8g)1
Cs1(3c)1
Kr1(8g)0
Kr2(12j)0
Kr3(8g)0
H1(8g)1
0.000.000.00000.00
0.000.000.00000.00
0.000.000.00000
0.000.000.00000.00
0.000.000.00-.00-.00-.00
0.000.000.000.000.000.00
0.010.000.00000
0.040.040.04-.00-.00-.00
0.020.020.04-.0000
0.080.080.08-.03-.03-.03
000000

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