Materials Data on CaRe2Si by Materials Project
CaRe2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ca is bonded in a distorted body-centered cubic geometry to eight equivalent Re and six equivalent Si atoms. All Ca–Re bond lengths are 2.73 Å. All Ca–Si bond lengths are 3.16 Å. Re is bonded to four equivalent Ca and four equivalent Si atoms to form a mixture of distorted corner, edge, and face-sharing ReCa4Si4 tetrahedra. All Re–Si bond lengths are 2.73 Å. Si is bonded in a 8-coordinate geometry to six equivalent Ca and eight equivalent Re atoms.
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