Materials Data on KTh6F25 by Materials Project
KTh6F25 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. K1+ is bonded in a cuboctahedral geometry to twelve F1- atoms. There are six shorter (3.19 Å) and six longer (3.24 Å) K–F bond lengths. Th4+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of Th–F bond distances ranging from 2.34–2.55 Å. There are six inequivalent F1- sites. In the first F1- site, F1- is bonded in a bent 150 degrees geometry to two equivalent Th4+ atoms. In the second F1- site, F1- is bonded in a trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the third F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms. In the fourth F1- site, F1- is bonded in a distorted trigonal non-coplanar geometry to three equivalent Th4+ atoms. In the fifth F1- site, F1- is bonded in a linear geometry to two equivalent Th4+ atoms. In the sixth F1- site, F1- is bonded in a distorted bent 120 degrees geometry to one K1+ and two equivalent Th4+ atoms.
- 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:
- 1201395
- Report Number(s):
- mp-27185
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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