Materials Data on KTeOF3 by Materials Project
KTeOF3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. K1+ is bonded to two equivalent O2- and four F1- atoms to form distorted corner-sharing KO2F4 pentagonal pyramids. There are one shorter (2.78 Å) and one longer (2.86 Å) K–O bond lengths. There are a spread of K–F bond distances ranging from 2.70–2.80 Å. Te4+ is bonded in a see-saw-like geometry to one O2- and three F1- atoms. The Te–O bond length is 1.81 Å. There are a spread of Te–F bond distances ranging from 1.96–2.05 Å. O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to one K1+ and one Te4+ atom. In the second F1- site, F1- is bonded in a bent 120 degrees geometry to one K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a 3-coordinate geometry to two equivalent K1+ and one Te4+ atom.