Materials Data on Li3Ac by Materials Project
Li3Ac 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 in a 4-coordinate geometry to four equivalent Ac atoms. All Li–Ac bond lengths are 3.43 Å. In the second Li site, Li is bonded in a square co-planar geometry to four equivalent Ac atoms. All Li–Ac bond lengths are 3.38 Å. Ac is bonded to twelve Li atoms to form a mixture of corner, edge, and face-sharing AcLi12 cuboctahedra.
- 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:
- 1315271
- Report Number(s):
- mp-976407
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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