Materials Data on K2CuTeO7 by Materials Project

Abstract

K2CuTeO7 crystallizes in the monoclinic Cc space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded in a 9-coordinate geometry to nine O atoms. There are a spread of K–O bond distances ranging from 2.75–3.30 Å. In the second K site, K is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of K–O bond distances ranging from 2.80–3.30 Å. Cu is bonded in a rectangular see-saw-like geometry to four O atoms. There is three shorter (1.85 Å) and one longer (1.86 Å) Cu–O bond length. Te is bonded in an octahedral geometry to six O atoms. There are a spread of Te–O bond distances ranging from 1.92–1.99 Å. There are seven inequivalent O sites. In the first O site, O is bonded in a 2-coordinate geometry to two K, one Cu, and one Te atom. In the second O site, O is bonded in a distorted L-shaped geometry to two K, one Cu, and one Te atom. In the third O site, O is bonded in a 2-coordinate geometry to three K, one Cu, and one Te atom. In the fourth O site, O is bonded in a 4-coordinate geometry to two K, one Cu, and one Te atom. In the fifth O site, O is bonded in a distorted trigonal non-coplanar geometry to two K and one Te atom. In the sixth O site, O is bonded in a 3-coordinate geometry to two K and one Te atom. In the seventh O site, O is bonded in a 4-coordinate geometry to four K atoms.