Materials Data on LiCuO by Materials Project
LiCuO is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Li1+ is bonded to four equivalent O2- atoms to form LiO4 tetrahedra that share corners with four equivalent CuO4 tetrahedra, corners with twelve equivalent LiO4 tetrahedra, and edges with six equivalent CuO4 tetrahedra. All Li–O bond lengths are 2.14 Å. Cu1+ is bonded to four equivalent O2- atoms to form distorted CuO4 tetrahedra that share corners with four equivalent LiO4 tetrahedra, corners with twelve equivalent CuO4 tetrahedra, and edges with six equivalent LiO4 tetrahedra. All Cu–O bond lengths are 2.14 Å. O2- is bonded in a body-centered cubic geometry to four equivalent Li1+ and four equivalent Cu1+ 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:
- 1325183
- Report Number(s):
- mp-1009014
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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