Materials Data on Er4I5 by Materials Project

Er4I5 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded in a 4-coordinate geometry to four I atoms. There are a spread of Er–I bond distances ranging from 3.08–3.31 Å. In the second Er site, Er is bonded in a 5-coordinate geometry to five I atoms. There are a spread of Er–I bond distances ranging from 3.08–3.46 Å. There are three inequivalent I sites. In the first I site, I is bonded in a 3-coordinate geometry to three Er atoms. In the second I site, I is bonded in a 4-coordinate geometry to four Er atoms. In the third I site, I is bonded in a distorted rectangular see-saw-like geometry to four equivalent Er atoms.