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Materials Data on KTe2F9 by Materials Project

KTe2F9 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. K1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of K–F bond distances ranging from 2.78–3.18 Å. There are two inequivalent Te4+ sites. In the first Te4+ site, Te4+ is bonded in a square pyramidal geometry to five F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.06 Å. In the second Te4+ site, Te4+ is bonded in a 4-coordinate geometry to six F1- atoms. There are a spread of Te–F bond distances ranging from 1.91–2.66 Å. There are nine inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two Te4+ atoms. In the second F1- site, F1- is bonded in a distorted water-like geometry to one K1+ and one Te4+ atom. In the third F1- site, F1- is bonded in a single-bond geometry to one Te4+ atom. In the fourth F1- site, F1- is bonded in a 1-coordinate geometry to one K1+ and one Te4+ atom. In the fifth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+ and one Te4+ atom. In the sixth F1- site, F1- is bonded in a single-bond geometry to two equivalent K1+ and one Te4+ atom. In the seventh F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the eighth F1- site, F1- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Te4+ atom. In the ninth F1- site, F1- is bonded in a 1-coordinate geometry to one K1+ and two Te4+ atoms.

36 MATERIALS SCIENCE↗