Materials Data on InFeBr3 by Materials Project
FeInBr3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Fe2+ is bonded to six Br1- atoms to form edge-sharing FeBr6 octahedra. There are a spread of Fe–Br bond distances ranging from 2.46–2.49 Å. In1+ is bonded in a 7-coordinate geometry to seven Br1- atoms. There are a spread of In–Br bond distances ranging from 3.26–3.51 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a distorted T-shaped geometry to three equivalent Fe2+ atoms. In the second Br1- site, Br1- is bonded in a 1-coordinate geometry to one Fe2+ and four equivalent In1+ atoms. In the third Br1- site, Br1- is bonded in a distorted water-like geometry to two equivalent Fe2+ and three equivalent In1+ atoms.