Materials Data on Na2Sr3As4 by Materials Project

Abstract

Na2Sr3As4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Na1+ sites. In the first Na1+ site, Na1+ is bonded to five As2- atoms to form distorted corner-sharing NaAs5 square pyramids. There are a spread of Na–As bond distances ranging from 2.96–3.38 Å. In the second Na1+ site, Na1+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Na–As bond distances ranging from 3.08–3.25 Å. There are three inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven As2- atoms. There are a spread of Sr–As bond distances ranging from 3.23–3.78 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven As2- atoms. There are a spread of Sr–As bond distances ranging from 3.24–3.79 Å. In the third Sr2+ site, Sr2+ is bonded in a 6-coordinate geometry to six As2- atoms. There are a spread of Sr–As bond distances ranging from 3.08–3.24 Å. There are four inequivalent As2- sites. In the first As2- site, As2- is bonded in a 8-coordinate geometry to three Na1+, four Sr2+, and one As2- atom. The As–As bond length is 2.54 Å. In the second As2- site, As2- is bonded in a 9-coordinate geometry to two Na1+, six Sr2+, and one As2- atom. The As–As bond length is 2.61 Å. In the third As2- site, As2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one As2- atom. The As–As bond length is 2.57 Å. In the fourth As2- site, As2- is bonded in a 9-coordinate geometry to three Na1+, five Sr2+, and one As2- atom.