Materials Data on Sb3Au by Materials Project
AuSb3 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Au3+ is bonded in a linear geometry to two equivalent Sb1- atoms. Both Au–Sb bond lengths are 2.73 Å. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a distorted single-bond geometry to one Au3+ and one Sb1- atom. The Sb–Sb bond length is 3.18 Å. In the second Sb1- site, Sb1- is bonded to six Sb1- atoms to form a mixture of edge and corner-sharing SbSb6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sb–Sb bond lengths are 3.06 Å.
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