Materials Data on LiCu2F6 by Materials Project
LiCu2F6 is zeta iron carbide-derived structured and crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Li1+ is bonded to six F1- atoms to form LiF6 octahedra that share corners with twelve equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Li–F bond distances ranging from 2.08–2.21 Å. Cu+2.50+ is bonded to six F1- atoms to form CuF6 octahedra that share corners with six equivalent LiF6 octahedra and edges with three equivalent CuF6 octahedra. The corner-sharing octahedra tilt angles range from 50–53°. There are a spread of Cu–F bond distances ranging from 1.93–2.00 Å. There are three inequivalent F1- sites. In the first F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Cu+2.50+ atoms. In the second F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Cu+2.50+ atoms. In the third F1- site, F1- is bonded in a distorted trigonal planar geometry to one Li1+ and two equivalent Cu+2.50+ 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:
- 1288899
- Report Number(s):
- mp-753089
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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