Materials Data on Ag4TeSO4 by Materials Project

Abstract

Ag4SO4Te crystallizes in the cubic P2_13 space group. The structure is three-dimensional and consists of four tellurium molecules and one Ag4SO4 framework. In the Ag4SO4 framework, there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent O2- atoms. All Ag–O bond lengths are 2.46 Å. In the second Ag1+ site, Ag1+ is bonded in a distorted L-shaped geometry to two O2- atoms. There are one shorter (2.45 Å) and one longer (2.64 Å) Ag–O bond lengths. S2- is bonded in a tetrahedral geometry to four O2- atoms. There is one shorter (1.49 Å) and three longer (1.50 Å) S–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted single-bond geometry to three equivalent Ag1+ and one S2- atom. In the second O2- site, O2- is bonded in a distorted trigonal planar geometry to two Ag1+ and one S2- atom.