Materials Data on Sc2Al by Materials Project
AlSc2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Sc sites. In the first Sc site, Sc is bonded in a 6-coordinate geometry to eight Sc and six equivalent Al atoms. There are two shorter (3.09 Å) and six longer (3.22 Å) Sc–Sc bond lengths. All Sc–Al bond lengths are 3.22 Å. In the second Sc site, Sc is bonded to six equivalent Sc and five equivalent Al atoms to form a mixture of distorted face and corner-sharing ScSc6Al5 trigonal bipyramids. There are three shorter (2.83 Å) and two longer (3.09 Å) Sc–Al bond lengths. Al is bonded in a 11-coordinate geometry to eleven Sc atoms.
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