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ICSD for WWW : Details

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CC=Collection Code: [AB2X4]=ANX Form: [cF56]=Pearson: [e d a]=Wyckoff Symbol: [Al2MgO4]=Structure Type:
***Click the ANX, Pearson or Wyckoff Symbol to find structures with that symbol***.
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.
ReferenceJournal of Physical Chemistry (1994) 98, 13328-13333
Link XRef SCOPUS SCIRUS 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 : MIN =Zeolite A : TEM =294 : DEF
Dehydrated at 623 K, 10exp-3 torr for 8 d, Kr sorption at 623 K for 5 d, cooling to RT under Kr atmosphere

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
00.1834(2)0.3710(2)00.5
00.1834(2)0.3710(2)00.5
00.2237(7)0.501
00.2934(5)0.2934(5)01
0.1125(3)0.1125(3)0.3396(5)01
0.2002(4)0.2002(4)0.2002(4)01
00.50.500.9533
0.0407(16)0.0407(16)0.0407(16)00.125
0.3004(16)0.3004(16)0.500.1667
0.3522(15)0.3522(15)0.3522(15)00.25
00.1425
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
0.0021(1)0.0018(1)0.0009(1)000.0002(2)
0.0021(1)0.0018(1)0.0009(1)000.0002(2)
0.0059(7)0.0042(6)0.0025(6)000
0.0063(7)0.0031(4)0.0031(4)000.0028(5)
0.0036(3)0.0036(3)0.0047(5)-.0006(4)-.0001(3)-.0001(3)
0.0063(2)0.0063(2)0.0063(2)0.0034(3)0.0034(3)0.0034(3)
0.0122(3)0.0081(1)0.0081(1)000
0.0433(37)0.0433(37)0.0433(37)-.0002(32)-.0002(32)-.0002(32)
0.0252(18)0.0252(18)0.0439(41)-.0039(27)00
0.0823(27)0.0823(27)0.0823(27)-.0312(20)-.0312(20)-.0312(20)
000000

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