Materials Data on Na5As4 by Materials Project

Na5As4 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded in a 7-coordinate geometry to seven As+1.25- atoms. There are a spread of Na–As bond distances ranging from 3.05–3.21 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As+1.25- atoms. There are a spread of Na–As bond distances ranging from 3.13–3.27 Å. In the third Na1+ site, Na1+ is bonded in a square co-planar geometry to four equivalent As+1.25- atoms. All Na–As bond lengths are 2.99 Å. There are two inequivalent As+1.25- sites. In the first As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to eight Na1+ and one As+1.25- atom. The As–As bond length is 2.46 Å. In the second As+1.25- site, As+1.25- is bonded in a 9-coordinate geometry to seven Na1+ and two As+1.25- atoms. The As–As bond length is 2.48 Å.