Materials Data on BaYSc by Materials Project
BaYSc is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded to six equivalent Y and four equivalent Sc atoms to form a mixture of distorted face and corner-sharing BaY6Sc4 tetrahedra. All Ba–Y bond lengths are 4.01 Å. All Ba–Sc bond lengths are 3.47 Å. Y is bonded in a 10-coordinate geometry to six equivalent Ba and four equivalent Sc atoms. All Y–Sc bond lengths are 3.47 Å. Sc is bonded in a body-centered cubic geometry to four equivalent Ba and four equivalent Y atoms.
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