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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=93964 Help
TitleSynthesis and crystal structure of rhodanide-enclathrated sodalite Na8 (Al Si O4)6 (S C N)2.
AuthorsBuhl, J.-C.;Gesing, T.M.;Gurris, C.
ReferenceMicroporous and Mesoporous Materials (2001) 50, 25-32
Link XRef SCOPUS Google
CompoundC2 Al6 N2 Na8 O24 S2 Si6 - [Sodalite] Octasodium hexakis(aluminosilicate) bis(thiocyanate) [AB3C3D4XYZ12] [cP50] [i f2 e d c a] []
Cell9.0767(3), 9.0767(3), 9.0767(3), 90, 90, 90
P4-3N (218) V=747.8
RemarksR=0.020000 : D M =Sodalite : 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.
A site occupation is implausible or meaningless but agrees with the paper.

Atom (site) Oxid. x, y, z, B, Occupancy
Na1(8e)1
Si1(6d)4
Al1(6c)3
O1(24i)-2
S1(12f)-2
C1(2a)4
N1(12f)-3
0.200.200.203.3(1
0.250.0.50.5(1
0.250.50.1.0(1
0.140.450.151.1(1
0.150.0.5.0(0.16
0.0.0.3.3(1.00
0.140.0.5.0(0.16

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