Materials Data on KAs by Materials Project

Abstract

AsK crystallizes in the orthorhombic Pbcm space group. The structure is two-dimensional and consists of one AsK sheet oriented in the (0, 1, 0) direction. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of K–As bond distances ranging from 3.39–3.48 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six equivalent As1- atoms. There are four shorter (3.39 Å) and two longer (3.47 Å) K–As bond lengths. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 8-coordinate geometry to six K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six equivalent K1+ and two equivalent As1- atoms. Both As–As bond lengths are 2.57 Å.