Materials Data on FeAu3 by Materials Project
FeAu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Fe3+ is bonded in a distorted body-centered cubic geometry to fourteen Au1- atoms. There are eight shorter (2.81 Å) and six longer (3.24 Å) Fe–Au bond lengths. There are two inequivalent Au1- sites. In the first Au1- site, Au1- is bonded to four equivalent Fe3+ and four equivalent Au1- atoms to form a mixture of distorted edge, face, and corner-sharing AuFe4Au4 tetrahedra. All Au–Au bond lengths are 2.81 Å. In the second Au1- site, Au1- is bonded in a 8-coordinate geometry to six equivalent Fe3+ and eight equivalent Au1- atoms.
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