Materials Data on Cs2TeO3 by Materials Project
Cs2TeO3 is Krennerite-derived structured and crystallizes in the trigonal P321 space group. The structure is three-dimensional. there are three inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded to six equivalent O2- atoms to form distorted face-sharing CsO6 octahedra. All Cs–O bond lengths are 3.19 Å. In the second Cs1+ site, Cs1+ is bonded in a 9-coordinate geometry to six equivalent O2- atoms. There are three shorter (3.33 Å) and three longer (3.44 Å) Cs–O bond lengths. In the third Cs1+ site, Cs1+ is bonded to six equivalent O2- atoms to form face-sharing CsO6 octahedra. All Cs–O bond lengths are 2.99 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.88 Å. O2- is bonded in a 1-coordinate geometry to four Cs1+ and one Te4+ atom.