Materials Data on K2Ag2SnSe4 by Materials Project

Abstract

K2Ag2SnSe4 crystallizes in the monoclinic P2/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.50–3.72 Å. In the second K1+ site, K1+ is bonded in a body-centered cubic geometry to eight Se2- atoms. There are a spread of K–Se bond distances ranging from 3.40–3.70 Å. Ag1+ is bonded in a 4-coordinate geometry to four Se2- atoms. There are a spread of Ag–Se bond distances ranging from 2.66–2.94 Å. Sn4+ is bonded in a tetrahedral geometry to four Se2- atoms. All Sn–Se bond lengths are 2.58 Å. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 7-coordinate geometry to four K1+, two equivalent Ag1+, and one Sn4+ atom. In the second Se2- site, Se2- is bonded in a 7-coordinate geometry to four K1+, two equivalent Ag1+, and one Sn4+ atom.