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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
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Title
Synthesis and crystal structure of rhodanide-enclathrated sodalite Na8 (Al Si O4)6 (S C N)2.
Authors
Buhl, J.-C.;Gesing, T.M.;Gurris, C.
Reference
Microporous and Mesoporous Materials (2001)
50
, 25-32
Link
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Compound
C2 Al6 N2 Na8 O24 S2 Si6
-
[Sodalite]
Octasodium hexakis(aluminosilicate) bis(thiocyanate)
[
AB3C3D4XYZ12
] [
cP50
] [
i f2 e d c a
] [
]
Cell
9.0767(3), 9.0767(3), 9.0767(3), 90, 90, 90
P4-3N (218)
V=747.8
Remarks
R=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
0.20
0.20
0.20
3.3(
1
0.25
0.
0.5
0.5(
1
0.25
0.5
0.
1.0(
1
0.14
0.45
0.15
1.1(
1
0.15
0.
0.
5.0(
0.16
0.
0.
0.
3.3(
1.00
0.14
0.
0.
5.0(
0.16
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