Materials Data on YbScAl4 by Materials Project
YbScAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Yb is bonded in a 12-coordinate geometry to four equivalent Sc and twelve equivalent Al atoms. All Yb–Sc bond lengths are 3.37 Å. All Yb–Al bond lengths are 3.22 Å. Sc is bonded in a 12-coordinate geometry to four equivalent Yb and twelve equivalent Al atoms. All Sc–Al bond lengths are 3.22 Å. Al is bonded to three equivalent Yb, three equivalent Sc, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlYb3Sc3Al6 cuboctahedra. There are three shorter (2.74 Å) and three longer (2.75 Å) Al–Al bond lengths.
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