Materials Data on LiCu3 by Materials Project
LiCu3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li is bonded in a distorted body-centered cubic geometry to fourteen Cu atoms. There are eight shorter (2.49 Å) and six longer (2.88 Å) Li–Cu bond lengths. There are two inequivalent Cu sites. In the first Cu site, Cu is bonded to four equivalent Li and four equivalent Cu atoms to form a mixture of distorted face, edge, and corner-sharing CuLi4Cu4 tetrahedra. All Cu–Cu bond lengths are 2.49 Å. In the second Cu site, Cu is bonded in a 8-coordinate geometry to six equivalent Li and eight equivalent Cu 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:
- 1314432
- Report Number(s):
- mp-974058
- Country of Publication:
- United States
- Language:
- English
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