Materials Data on KSe by Materials Project

Abstract

KSe crystallizes in the orthorhombic Pbca 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 two equivalent K1+ and six Se1- atoms. Both K–K bond lengths are 3.24 Å. There are a spread of K–Se bond distances ranging from 3.23–3.83 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to two equivalent K1+ and six Se1- atoms. There are a spread of K–Se bond distances ranging from 3.24–3.77 Å. There are two inequivalent Se1- sites. In the first Se1- site, Se1- is bonded in a 7-coordinate geometry to six K1+ and one Se1- atom. The Se–Se bond length is 2.46 Å. In the second Se1- site, Se1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent Se1- atoms. Both Se–Se bond lengths are 3.02 Å.