Materials Data on Li2ZrF6 by Materials Project
Li2ZrF6 is beta Vanadium nitride-derived structured and crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent F1- atoms to form LiF6 octahedra that share corners with six equivalent ZrF6 octahedra and edges with three equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Li–F bond lengths are 2.06 Å. Zr4+ is bonded to six equivalent F1- atoms to form ZrF6 octahedra that share corners with twelve equivalent LiF6 octahedra. The corner-sharing octahedral tilt angles are 48°. All Zr–F bond lengths are 2.05 Å. F1- is bonded in a distorted T-shaped geometry to two equivalent Li1+ and one Zr4+ 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:
- 1207720
- Report Number(s):
- mp-4002
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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