Materials Data on K5As4 by Materials Project

Abstract

K5As4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.38–3.78 Å. In the second K1+ site, K1+ is bonded in a 5-coordinate geometry to five As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.33–3.52 Å. In the third K1+ site, K1+ is bonded to six As+1.25- atoms to form edge-sharing KAs6 octahedra. There are a spread of K–As bond distances ranging from 3.29–3.50 Å. In the fourth K1+ site, K1+ is bonded in a 4-coordinate geometry to five As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.34–3.53 Å. In the fifth K1+ site, K1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of K–As bond distances ranging from 3.39–3.78 Å. There are four inequivalent As+1.25- sites. In the first As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two As+1.25- atoms. There are one shorter (2.46 Å) and one longer (2.51 Å) As–As bond lengths. In the second As+1.25- site, As+1.25- is bonded in a 8-coordinate geometry to seven K1+ and one As+1.25- atom. The As–As bond length is 2.46 Å. In the third As+1.25- site, As+1.25- is bonded in a 8-coordinate geometry to seven K1+ and one As+1.25- atom. In the fourth As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to seven K1+ and two As+1.25- atoms.