Materials Data on KSi by Materials Project

Abstract

KSi crystallizes in the cubic P-43n space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 6-coordinate geometry to six Si atoms. There are a spread of K–Si bond distances ranging from 3.33–3.65 Å. In the second K site, K is bonded in a 6-coordinate geometry to six Si atoms. There are three shorter (3.46 Å) and three longer (3.65 Å) K–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 9-coordinate geometry to six K and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.45 Å) Si–Si bond lengths. In the second Si site, Si is bonded in a 9-coordinate geometry to six K and three equivalent Si atoms. All Si–Si bond lengths are 2.43 Å.