Materials Data on KNaSiF6 by Materials Project
KNaSiF6 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. K1+ is bonded in a 9-coordinate geometry to nine F1- atoms. There are a spread of K–F bond distances ranging from 2.69–3.15 Å. Na1+ is bonded in a 10-coordinate geometry to ten F1- atoms. There are a spread of Na–F bond distances ranging from 2.31–2.82 Å. Si4+ is bonded in an octahedral geometry to six F1- atoms. There are a spread of Si–F bond distances ranging from 1.71–1.74 Å. There are four inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted single-bond geometry to two equivalent K1+, one Na1+, and one Si4+ atom. In the second F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, two equivalent Na1+, and one Si4+ atom. In the third F1- site, F1- is bonded in a distorted bent 150 degrees geometry to two equivalent K1+, one Na1+, and one Si4+ atom. In the fourth F1- site, F1- is bonded in a distorted single-bond geometry to one K1+, three equivalent Na1+, and one Si4+ 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:
- 1269616
- Report Number(s):
- mp-556934
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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