Materials Data on K2TeO4 by Materials Project

Abstract

K2TeO4 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of K–O bond distances ranging from 2.72–3.30 Å. In the second K1+ site, K1+ is bonded to six O2- atoms to form distorted KO6 octahedra that share corners with six equivalent TeO4 tetrahedra and edges with two equivalent KO6 octahedra. There are a spread of K–O bond distances ranging from 2.75–3.00 Å. Te6+ is bonded to four O2- atoms to form TeO4 tetrahedra that share corners with six equivalent KO6 octahedra. The corner-sharing octahedra tilt angles range from 37–73°. There are a spread of Te–O bond distances ranging from 1.84–1.86 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three K1+ and one Te6+ atom. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two K1+ and one Te6+ atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three K1+ and one Te6+ atom. In the fourth O2- site, O2- is bonded to four K1+ and one Te6+ atom to form distorted corner-sharing OK4Te trigonal bipyramids.