Materials Data on CaSmAl4 by Materials Project
CaSmAl4 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 Sm and twelve equivalent Al atoms. All Ca–Sm bond lengths are 3.46 Å. All Ca–Al bond lengths are 3.31 Å. Sm is bonded in a 12-coordinate geometry to four equivalent Ca and twelve equivalent Al atoms. All Sm–Al bond lengths are 3.31 Å. Al is bonded to three equivalent Ca, three equivalent Sm, and six equivalent Al atoms to form a mixture of corner, edge, and face-sharing AlCa3Sm3Al6 cuboctahedra. All Al–Al bond lengths are 2.82 Å.
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