Materials Data on KTeO7 by Materials Project

Abstract

KTeO7 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one KTeO7 sheet oriented in the (1, 0, 0) direction. K is bonded in a 2-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.67–3.38 Å. Te is bonded in a distorted trigonal non-coplanar geometry to three O atoms. There is two shorter (1.85 Å) and one longer (2.07 Å) Te–O bond length. There are seven inequivalent O sites. In the first O site, O is bonded in a water-like geometry to two O atoms. There is one shorter (1.26 Å) and one longer (1.59 Å) O–O bond length. In the second O site, O is bonded in a bent 150 degrees geometry to one K and one O atom. The O–O bond length is 1.23 Å. In the third O site, O is bonded in a 2-coordinate geometry to two equivalent K and one Te atom. In the fourth O site, O is bonded in a single-bond geometry to one O atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one K and one O atom. In the sixth O site, O is bonded in a 1-coordinate geometry to two equivalent K, one Te, and one O atom. In the seventh O site, O is bonded in a 1-coordinate geometry to two equivalent K and one Te atom.