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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on CaBiAu by Materials Project

CaAuBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded to four equivalent Au and six equivalent Bi atoms to form a mixture of distorted face and corner-sharing CaBi6Au4 tetrahedra. All Ca–Au bond lengths are 3.02 Å. All Ca–Bi bond lengths are 3.49 Å. Au is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Bi atoms. All Au–Bi bond lengths are 3.02 Å. Bi is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Au atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on CaBiAu by Materials Project

CaAuBi crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. Ca is bonded in a 3-coordinate geometry to three equivalent Au and six equivalent Bi atoms. All Ca–Au bond lengths are 3.13 Å. There are three shorter (3.32 Å) and three longer (3.56 Å) Ca–Bi bond lengths. Au is bonded in a 7-coordinate geometry to three equivalent Ca and four equivalent Bi atoms. There are three shorter (2.92 Å) and one longer (3.15 Å) Au–Bi bond lengths. Bi is bonded in a 10-coordinate geometry to six equivalent Ca and four equivalent Au atoms.

36 MATERIALS SCIENCE↗