Materials Data on CsEuBr3 by Materials Project

CsEuBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.70–4.18 Å. Eu2+ is bonded to six Br1- atoms to form corner-sharing EuBr6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. All Eu–Br bond lengths are 3.02 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the second Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Eu2+ atoms.