Materials Data on Li3Ni by Materials Project
Li3Ni is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Li sites. In the first Li site, Li is bonded to four equivalent Ni atoms to form a mixture of distorted edge and corner-sharing LiNi4 cuboctahedra. All Li–Ni bond lengths are 2.69 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Ni atoms. All Li–Ni bond lengths are 2.69 Å. Ni is bonded to twelve Li atoms to form a mixture of edge, face, and corner-sharing NiLi12 cuboctahedra.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1753812
- Report Number(s):
- mp-1185204
- Country of Publication:
- United States
- Language:
- English
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