Materials Data on CsSrI3 by Materials Project
CsSrI3 is (Cubic) Perovskite structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. Cs1+ is bonded in a 12-coordinate geometry to twelve I1- atoms. There are a spread of Cs–I bond distances ranging from 4.45–4.71 Å. Sr2+ is bonded to six I1- atoms to form corner-sharing SrI6 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. There are a spread of Sr–I bond distances ranging from 3.22–3.25 Å. There are three inequivalent I1- sites. In the first I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the second I1- site, I1- is bonded in a distorted linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms. In the third I1- site, I1- is bonded in a linear geometry to four equivalent Cs1+ and two equivalent Sr2+ atoms.