Materials Data on BAu3 by Materials Project
Au3B is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Au1- and four equivalent B3+ atoms to form a mixture of distorted edge, face, and corner-sharing AuB4Au4 tetrahedra. All Au–Au bond lengths are 2.77 Å. All Au–B bond lengths are 2.77 Å. In the second Au1- site, Au1- is bonded in a body-centered cubic geometry to eight equivalent Au1- atoms. B3+ is bonded in a body-centered cubic geometry to eight equivalent Au1- atoms.
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