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DOE OSTI2020

Materials Data on Ce3Bi4Pd3 by Materials Project

Ce3Pd3Bi4 crystallizes in the cubic I-43d space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to four equivalent Pd and eight equivalent Bi atoms. All Ce–Pd bond lengths are 3.09 Å. There are four shorter (3.47 Å) and four longer (3.51 Å) Ce–Bi bond lengths. Pd is bonded in a 8-coordinate geometry to four equivalent Ce and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.83 Å. Bi is bonded in a 9-coordinate geometry to six equivalent Ce and three equivalent Pd atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on CeBiPd by Materials Project

CePdBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce is bonded to four equivalent Pd and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing CeBi6Pd4 tetrahedra. All Ce–Pd bond lengths are 2.98 Å. All Ce–Bi bond lengths are 3.44 Å. Pd is bonded in a body-centered cubic geometry to four equivalent Ce and four equivalent Bi atoms. All Pd–Bi bond lengths are 2.98 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ce and four equivalent Pd atoms.

36 MATERIALS SCIENCE↗