Materials Data on KSe3 by Materials Project

Abstract

KSe3 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to eight Se atoms. There are a spread of K–Se bond distances ranging from 3.31–3.89 Å. There are three inequivalent Se sites. In the first Se site, Se is bonded in a 5-coordinate geometry to three equivalent K and two Se atoms. There are one shorter (2.40 Å) and one longer (2.54 Å) Se–Se bond lengths. In the second Se site, Se is bonded in a 2-coordinate geometry to two equivalent K and two Se atoms. The Se–Se bond length is 2.69 Å. In the third Se site, Se is bonded in a 5-coordinate geometry to three equivalent K and two Se atoms.