Materials Data on KAs by Materials Project

Abstract

AsK is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of K–As bond distances ranging from 3.33–3.50 Å. In the second 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 3.36–3.68 Å. 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. There are one shorter (2.51 Å) and one longer (2.54 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 7-coordinate geometry to five K1+ and two equivalent As1- atoms.