Materials Data on ErI3O11 by Materials Project
ErO11I3 crystallizes in the triclinic P-1 space group. The structure is two-dimensional and consists of one ErO11I3 sheet oriented in the (0, 1, 0) direction. Er is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Er–O bond distances ranging from 2.32–2.38 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 2.73 Å. In the second O site, O is bonded in a bent 150 degrees geometry to one Er and one I atom. The O–I bond length is 1.84 Å. In the third O site, O is bonded in a bent 120 degrees geometry to one Er and one I atom. The O–I bond length is 1.85 Å. In the fourth O site, O is bonded in a distorted single-bond geometry to one I atom. The O–I bond length is 1.85 Å. In the fifth O site, O is bonded in a bent 150 degrees geometry to one Er and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Er and one I atom. The O–I bond length is 1.84 Å. In the seventh O site, O is bonded in a 2-coordinate geometry to one Er and two I atoms. There are one shorter (1.86 Å) and one longer (2.63 Å) O–I bond lengths. In the eighth O site, O is bonded in a bent 120 degrees geometry to one Er and one I atom. The O–I bond length is 1.85 Å. In the ninth O site, O is bonded in a bent 120 degrees geometry to one Er and one I atom. The O–I bond length is 1.84 Å. In the tenth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.82 Å. In the eleventh O site, O is bonded in a single-bond geometry to one Er atom. There are three inequivalent I sites. In the first I site, I is bonded in a 6-coordinate geometry to five O atoms. In the second I site, I is bonded in a 4-coordinate geometry to three O atoms. In the third I site, I is bonded in a trigonal non-coplanar geometry to three O atoms.