Materials Data on CaErAl4 by Materials Project
CaErAl4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 12-coordinate geometry to four equivalent Er and twelve equivalent Al atoms. All Ca–Er bond lengths are 3.42 Å. All Ca–Al bond lengths are 3.28 Å. Er is bonded in a 12-coordinate geometry to four equivalent Ca and twelve equivalent Al atoms. All Er–Al bond lengths are 3.28 Å. Al is bonded to three equivalent Ca, three equivalent Er, and six equivalent Al atoms to form a mixture of face, edge, and corner-sharing AlCa3Er3Al6 cuboctahedra. There are three shorter (2.79 Å) and three longer (2.80 Å) Al–Al bond lengths.
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