Materials Data on KAg3Te2 by Materials Project

Abstract

KAg3Te2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. K1+ is bonded to seven Te2- atoms to form a mixture of distorted edge and face-sharing KTe7 pentagonal bipyramids. There are four shorter (3.65 Å) and three longer (3.85 Å) K–Te bond lengths. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to one Ag1+ and three Te2- atoms. The Ag–Ag bond length is 2.87 Å. There are one shorter (2.77 Å) and two longer (2.98 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to five Ag1+ and four Te2- atoms. There are two shorter (2.98 Å) and two longer (3.15 Å) Ag–Ag bond lengths. There are a spread of Ag–Te bond distances ranging from 2.81–3.23 Å. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent Ag1+ and three Te2- atoms. There are two shorter (2.82 Å) and one longer (2.86 Å) Ag–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 9-coordinate geometry to three equivalent K1+ and six Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 8-coordinate geometry to four equivalent K1+ and four Ag1+ atoms.