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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=96651
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Title
Temperature and pressure dependence of orientational disorder and bonding in Li2 Cs C60.
Authors
Margadonna, S.; Brown, C.M.; Prassides, K.; Fitch, A.N.; Knudsen, K.D.; Le Bihan, T.; Mezouar, M.; Hirosawa, I.; Tanigaki, K.
Reference
International Journal of Inorganic Mater (1999)
1
, 157-163
Link
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Compound
C60 Cs1 Li2
-
[Fulleride]
Lithium caesium carbon (2/1/60)
[
NO2P60
] [
cF252
] [
c b a
] [
]
Cell
13.945(1), 13.945(1), 13.945(1), 90, 90, 90
FM3-M (225)
V=2711.79
Remarks
D M =Fulleride : R S T =150 :
At least one temperature factor missing in the paper.
A site occupation is implausible or meaningless but agrees with the paper.
No R value given in the paper.
Atom (site) Oxid.
x, y, z, B, Occupancy
C1
(4a)
0
Li1
(8c)
0
Cs1
(8c)
0
Cs2
(4b)
0
Li2
(4b)
0
0.
0.
0.
0
60.0
0.25
0.25
0.25
0
0.99
0.25
0.25
0.25
0
0.01
0.5
0.5
0.5
0
0.98
0.5
0.5
0.5
0
0.02
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