Materials Data on LiNi3 by Materials Project
LiNi3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Li is bonded to twelve Ni atoms to form a mixture of edge, corner, and face-sharing LiNi12 cuboctahedra. There are eight shorter (2.48 Å) and four longer (2.49 Å) Li–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent Li atoms to form a mixture of distorted edge and corner-sharing NiLi4 cuboctahedra. In the second Ni site, Ni is bonded in a distorted square co-planar geometry to four equivalent Li atoms.
- 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:
- 1732867
- Report Number(s):
- mp-1185266
- Country of Publication:
- United States
- Language:
- English
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