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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 Help
TitleCrystal structure of K Al H4 from first principle calculations.
AuthorsVajeeston, P.; Ravindran, P.; Kjekshus, A.; Fjellvag, H.
ReferenceIC&volume=363&fpage=L7&details=yes target=icsd_help>Journal of Alloys Compd. (2004) 363, L7-L11
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CompoundH4 Al1 K1 - Potassium tetrahydridoaluminate hypothetical [ABX4] [tI24] [b a] []
Cell5.442, 5.442, 12.661, 90, 90, 90
I41/AZ (88) V=374.96
RemarksT
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
0.0.250.1201
0.0.250.6201
0.250.350.5401

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