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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=281444
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Title
The Cs Ln M Se3 semiconductors (Ln = rare-earth element, Y; M = Zn, Cd, Hg).
Authors
Mitchell, K.; Huang, F.Q.; McFarland, A.D.; Haynes, C.L.; Somers, R.C.; Van Duyne, R.P.; Ibers, J.A.
Reference
Inorganic Chemistry (2003)
42
, 410-411
Link
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Compound
Cs1 Hg1 Nd1 Se3
- Caesium phyllo-triselenidoneodymiomercurate
[
ABCX3
] [
oS24
] [
f c3 a
] [
]
Cell
4.3202(3), 15.7771(11), 11.1981(8), 90., 90., 90.
CMCM (63)
V=763.27
Remarks
R=0.020700 : T =153 :
Atom (site) Oxid.
x, y, z, B, Occupancy
Hg1
(4c)
2
Nd1
(4a)
3
Cs1
(4c)
1
Se1
(8f)
-2
Se2
(4c)
-2
0
0.45
0.25
0.01
1
0
0
0
0.00
1
0
0.74
0.25
0.01
1
0
0.37
0.04
0.00
1
0
0.06
0.25
0.00
1
Atom (site) Oxid.
U11, U22, U33, U12, U13, U23
Hg1
(4c)
2
Nd1
(4a)
3
Cs1
(4c)
1
Se1
(8f)
-2
Se2
(4c)
-2
0.01
0.01
0.00
0
0
0
0.00
0.01
0.00
0
0
-0.0
0.01
0.01
0.02
0
0
0
0.00
0.00
0.00
0
0
-0.0
0.00
0.00
0.00
0
0
0
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