Materials Data on Li3Hg by Materials Project
Li3Hg 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 Hg atoms to form a mixture of distorted edge and corner-sharing LiHg4 cuboctahedra. All Li–Hg bond lengths are 2.92 Å. In the second Li site, Li is bonded in a distorted square co-planar geometry to four equivalent Hg atoms. All Li–Hg bond lengths are 2.94 Å. Hg is bonded to twelve Li atoms to form a mixture of face, edge, and corner-sharing HgLi12 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:
- 1314942
- Report Number(s):
- mp-976047
- Country of Publication:
- United States
- Language:
- English
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