Materials Data on Li4CuF7 by Materials Project
Li4CuF7 crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four F1- atoms to form LiF4 tetrahedra that share corners with three equivalent CuF6 octahedra and corners with six equivalent LiF4 tetrahedra. The corner-sharing octahedral tilt angles are 52°. There is one shorter (1.78 Å) and three longer (1.90 Å) Li–F bond length. Cu3+ is bonded to six equivalent F1- atoms to form CuF6 octahedra that share corners with twelve equivalent LiF4 tetrahedra. All Cu–F bond lengths are 1.95 Å. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded in a trigonal planar geometry to two equivalent Li1+ and one Cu3+ atom. In the second F1- site, F1- is bonded in a tetrahedral geometry to four equivalent Li1+ 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:
- 1291522
- Report Number(s):
- mp-759877
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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