Materials Data on CsAuF4 by Materials Project
CsAuF4 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve F1- atoms. There are a spread of Cs–F bond distances ranging from 2.98–3.55 Å. There are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four F1- atoms. All Au–F bond lengths are 1.97 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four equivalent F1- atoms. All Au–F bond lengths are 1.97 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent Cs1+ and one Au3+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to four equivalent Cs1+ and one Au3+ atom. In the third F1- site, F1- is bonded in a 2-coordinate geometry to three equivalent Cs1+ and one Au3+ atom.