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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=99083
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Title
Crystal structure of K Al H4 from first principle calculations.
Authors
Vajeeston, P.; Ravindran, P.; Kjekshus, A.; Fjellvag, H.
Reference
IC&volume=363&fpage=L7&details=yes target=icsd_help>Journal of Alloys Compd. (2004)
363
, L7-L11
Link
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Compound
H4 Al1 K1
- Potassium tetrahydridoaluminate hypothetical
[
ABX4
] [
tI24
] [
b a
] [
]
Cell
5.442, 5.442, 12.661, 90, 90, 90
I41/AZ (88)
V=374.96
Remarks
T
At least one temperature factor missing in the paper.
No R value given in the paper.
(alpha-Na Al H4) structure type, metastable
Atom (site) Oxid.
x, y, z, B, Occupancy
K1
(4a)
1
Al1
(4b)
3
H1
(16f)
-1
0.
0.25
0.12
0
1
0.
0.25
0.62
0
1
0.25
0.35
0.54
0
1
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