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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1277732
- Report Number(s):
- mp-612946
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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