Materials Data on CaZrPd by Materials Project
CaZrPd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a body-centered cubic geometry to four equivalent Zr and four equivalent Pd atoms. All Ca–Zr bond lengths are 2.86 Å. All Ca–Pd bond lengths are 2.86 Å. Zr is bonded in a 10-coordinate geometry to four equivalent Ca and six equivalent Pd atoms. All Zr–Pd bond lengths are 3.31 Å. Pd is bonded to four equivalent Ca and six equivalent Zr atoms to form a mixture of distorted corner and face-sharing PdCa4Zr6 tetrahedra.
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