Materials Data on KNaTe(HO)6 by Materials Project

Abstract

KNaTe(HO)6 crystallizes in the trigonal P31c space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to three equivalent H1+ and six O2- atoms. All K–H bond lengths are 2.86 Å. There are three shorter (2.91 Å) and three longer (3.14 Å) K–O bond lengths. Na1+ is bonded in an octahedral geometry to six O2- atoms. There are three shorter (2.43 Å) and three longer (2.57 Å) Na–O bond lengths. There are two inequivalent H1+ sites. In the first H1+ site, H1+ is bonded in a distorted single-bond geometry to one O2- atom. The H–O bond length is 1.01 Å. In the second H1+ site, H1+ is bonded in a single-bond geometry to one K1+ and one O2- atom. The H–O bond length is 0.99 Å. Te4+ is bonded in a trigonal non-coplanar geometry to three equivalent O2- atoms. All Te–O bond lengths are 1.89 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, one Na1+, and one Te4+ atom. In the second O2- site, O2- is bonded in a distorted water-like geometry to one K1+, one Na1+, and two H1+ atoms.