Materials Data on K2SnTe3 by Materials Project

Abstract

K2SnTe3 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Te2- atoms. There are a spread of K–Te bond distances ranging from 3.62–3.76 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent Te2- atoms. There are a spread of K–Te bond distances ranging from 3.57–3.79 Å. Sn4+ is bonded to four Te2- atoms to form edge-sharing SnTe4 tetrahedra. There are two shorter (2.78 Å) and two longer (2.88 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded in a 6-coordinate geometry to four equivalent K1+ and two equivalent Sn4+ atoms. In the second Te2- site, Te2- is bonded in a distorted hexagonal planar geometry to five K1+ and one Sn4+ atom.