Materials Data on HoIO9 by Materials Project

Abstract

HoO9I crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one HoO9I sheet oriented in the (1, 0, 0) direction. Ho is bonded in a 6-coordinate geometry to six O atoms. There are a spread of Ho–O bond distances ranging from 2.19–2.45 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the second O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the third O site, O is bonded in a distorted trigonal non-coplanar geometry to two equivalent Ho and one I atom. The O–I bond length is 1.95 Å. In the fourth O site, O is bonded in a single-bond geometry to one Ho atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one O and one I atom. The O–O bond length is 1.27 Å. The O–I bond length is 2.27 Å. In the sixth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. In the seventh O site, O is bonded in a single-bond geometry to one O atom. In the eighth O site, O is bonded in a single-bond geometry to one O atom. In the ninth O site, O is bonded in a water-like geometry to one Ho and one I atom. The O–I bond length is 1.86 Å. I is bonded in an octahedral geometry to six O atoms.