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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=90723 Help
TitleLocalisation of residual water in alkali-metal cation-exchanged X and Y type zeolites.
AuthorsKirschhock, C.E.A.;Hunger, B.;Martens, J.;Jacobs, P.A.
ReferenceIC&volume=104&fpage=439&details=yes target=icsd_help>J. Phys. Chem. B (2000) 104, 439-448
Link XRef SCOPUS Google
CompoundH8.64 Al56 Na27.6 O388.32 Rb27.74 Si136 - [Zeolite Y] Rubidium sodium tecto-alumosilicate hydrate * [A7B7C48X97] [cF644] [i h g3 e4 c] []
Cell24.78609(40), 24.78609(40), 24.78609(40), 90., 90., 90.
FD3-MZ (227) V=15227.34
RemarksR=0.040000 : D M =Zeolite Y : X
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.
Deviation of the charge sum from zero tolerable.

Atom (site) Oxid. x, y, z, B, Occupancy
Si1(192i)4
Al1(192i)3
O1(96h)-2
O2(96g)-2
O3(96g)-2
O4(96g)-2
Na1(16c)1
Na2(32e)1
Na3(32e)1
Rb1(32e)1
O5(32e)-2
H1(192*)1
-.050.120.030.000.70
-.050.120.030.000.29
00.100.890.011
0.170.17-.030.011
-.00-.000.140.011
0.180.180.310.011
0000.090.27
0.060.060.060.060.58
0.230.230.230.070.14
0.250.250.250.030.86
0.290.290.290.080.13
00.04

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