Materials Data on SmIO9 by Materials Project

Abstract

SmO9I crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.42–2.66 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Sm and one I atom. The O–I bond length is 1.89 Å. In the second O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.87 Å. In the third O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one I atom. The O–I bond length is 1.91 Å. In the fourth O site, O is bonded in a water-like geometry to one Sm and one O atom. The O–O bond length is 1.30 Å. In the fifth O site, O is bonded in a single-bond geometry to one I atom. The O–I bond length is 1.86 Å. In the sixth O site, O is bonded in a water-like geometry to one Sm and one I atom. The O–I bond length is 1.89 Å. In the seventh O site, O is bonded in a distorted bent 120 degrees geometry to one Sm and one O atom. The O–O bond length is 1.29 Å. In the eighth O site, O is bonded in a bent 120 degrees geometry to two O atoms. In the ninth O site, O is bonded in a distorted trigonal planar geometry to two equivalent Sm and one I atom. The O–I bond length is 1.93 Å. I is bonded in an octahedral geometry to six O atoms.