Materials Data on KTe2O9 by Materials Project

Abstract

KTe2O9 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K is bonded in a 8-coordinate geometry to ten O atoms. There are a spread of K–O bond distances ranging from 2.82–3.39 Å. There are two inequivalent Te sites. In the first Te site, Te is bonded to six O atoms to form corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Te–O bond distances ranging from 1.92–1.96 Å. In the second Te site, Te is bonded to six O atoms to form a mixture of edge and corner-sharing TeO6 octahedra. The corner-sharing octahedral tilt angles are 51°. There are a spread of Te–O bond distances ranging from 1.89–2.01 Å. There are nine inequivalent O sites. In the first O site, O is bonded in a distorted single-bond geometry to one K and one Te atom. In the second O site, O is bonded in a distorted single-bond geometry to one K and one Te atom. In the third O site, O is bonded in a distorted bent 120 degrees geometry to two equivalent K and one Te atom. In the fourth O site, O is bonded in a water-like geometry to two equivalent Te atoms. In the fifth O site, O is bonded in a 1-coordinate geometry to two equivalent K and one Te atom. In the sixth O site, O is bonded in a 3-coordinate geometry to one K and two Te atoms. In the seventh O site, O is bonded in a bent 120 degrees geometry to two Te atoms. In the eighth O site, O is bonded in a bent 120 degrees geometry to one K and one Te atom. In the ninth O site, O is bonded in a distorted single-bond geometry to two equivalent K and one Te atom.