Materials Data on KTeIO9 by Materials Project

Abstract

KTeO9I crystallizes in the orthorhombic Pna2_1 space group. The structure is two-dimensional and consists of two KTeO9I sheets oriented in the (0, 0, 1) direction. K is bonded in a 6-coordinate geometry to six O atoms. There are a spread of K–O bond distances ranging from 2.69–2.92 Å. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.91–1.98 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Te atom. In the second 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 third O site, O is bonded in a distorted bent 150 degrees geometry to one K and one I atom. The O–I bond length is 1.84 Å. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one Te atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one K and one I atom. The O–I bond length is 1.85 Å. In the sixth O site, O is bonded in a distorted bent 120 degrees geometry to one K and one Te atom. In the seventh O site, O is bonded in a bent 120 degrees geometry to one K and one Te atom. In the eighth O site, O is bonded in a single-bond geometry to one Te atom. In the ninth O site, O is bonded in a bent 150 degrees geometry to one K and one Te atom. I is bonded in a 3-coordinate geometry to three O atoms.