Materials Data on SiBAu by Materials Project
AuBSi is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Au1- is bonded to six equivalent B3- and four equivalent Si4+ atoms to form a mixture of distorted face and corner-sharing AuSi4B6 tetrahedra. All Au–B bond lengths are 2.82 Å. All Au–Si bond lengths are 2.44 Å. B3- is bonded in a 10-coordinate geometry to six equivalent Au1- and four equivalent Si4+ atoms. All B–Si bond lengths are 2.44 Å. Si4+ is bonded in a body-centered cubic geometry to four equivalent Au1- and four equivalent B3- atoms.
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