Materials Data on CaReBi by Materials Project
CaReBi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ca is bonded in a 4-coordinate geometry to four equivalent Re and six equivalent Bi atoms. All Ca–Re bond lengths are 2.93 Å. All Ca–Bi bond lengths are 3.38 Å. Re is bonded in a body-centered cubic geometry to four equivalent Ca and four equivalent Bi atoms. All Re–Bi bond lengths are 2.93 Å. Bi is bonded in a distorted q6 geometry to six equivalent Ca and four equivalent Re atoms.
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