Materials Data on RbGeBr3 by Materials Project

Abstract

RbGeBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pna2_1 space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Rb–Br bond distances ranging from 3.59–3.83 Å. Ge2+ is bonded in a 6-coordinate geometry to six Br1- atoms. There are a spread of Ge–Br bond distances ranging from 2.57–3.38 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Rb1+ and two equivalent Ge2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Rb1+ and two equivalent Ge2+ atoms.