Materials Data on CsSrN9 by Materials Project

Abstract

CsSrN9 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Cs1+ is bonded in a 2-coordinate geometry to ten N+0.33- atoms. There are a spread of Cs–N bond distances ranging from 3.16–3.46 Å. Sr2+ is bonded in a 8-coordinate geometry to eight N+0.33- atoms. There are a spread of Sr–N bond distances ranging from 2.68–2.81 Å. There are five inequivalent N+0.33- sites. In the first N+0.33- site, N+0.33- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Sr2+, and one N+0.33- atom. The N–N bond length is 1.18 Å. In the second N+0.33- site, N+0.33- is bonded in a linear geometry to two equivalent N+0.33- atoms. Both N–N bond lengths are 1.18 Å. In the third N+0.33- site, N+0.33- is bonded in a distorted trigonal non-coplanar geometry to one Cs1+, one Sr2+, and one N+0.33- atom. In the fourth N+0.33- site, N+0.33- is bonded in a distorted linear geometry to one Cs1+ and two N+0.33- atoms. The N–N bond length is 1.19 Å. In the fifth N+0.33- site, N+0.33- is bonded in a distorted trigonal planar geometry to one Cs1+, two equivalent Sr2+, and one N+0.33- atom.