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 in a 4-coordinate geometry to two Ag1+ and three Te2- atoms. There are one shorter (3.18 Å) and one longer (3.39 Å) K–Ag bond lengths. There are a spread of K–Te bond distances ranging from 3.32–3.68 Å. There are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 5-coordinate geometry to one K1+, two equivalent Ag1+, and two Te2- atoms. Both Ag–Ag bond lengths are 2.99 Å. There are one shorter (2.70 Å) and one longer (2.79 Å) Ag–Te bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 7-coordinate geometry to one K1+, three Ag1+, and three equivalent Te2- atoms. There are two shorter (2.87 Å) and one longer (3.06 Å) Ag–Ag bond lengths. There are two shorter (2.83 Å) and one longer (3.10 Å) Ag–Te bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 6-coordinate geometry to two Ag1+ and four Te2- atoms. The Ag–Ag bond length is 2.85 Å. There are a spread of Ag–Te bond distances ranging from 2.80–3.06 Å. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a distorted pentagonal planar geometry to two equivalent K1+ and three Ag1+ atoms. In the second Te2- site, Te2- is bonded in a 7-coordinate geometry to one K1+ and six Ag1+ atoms.