Materials Data on Li3Cr by Materials Project
Li3Cr is Uranium Silicide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li is bonded to eight equivalent Li and four equivalent Cr atoms to form distorted LiLi8Cr4 cuboctahedra that share corners with four equivalent CrLi12 cuboctahedra, corners with fourteen equivalent LiLi8Cr4 cuboctahedra, edges with six equivalent CrLi12 cuboctahedra, edges with twelve equivalent LiLi8Cr4 cuboctahedra, faces with four equivalent CrLi12 cuboctahedra, and faces with sixteen equivalent LiLi8Cr4 cuboctahedra. There are a spread of Li–Li bond distances ranging from 2.92–2.98 Å. There are two shorter (2.93 Å) and two longer (2.97 Å) Li–Cr bond lengths. Cr is bonded to twelve equivalent Li atoms to form CrLi12 cuboctahedra that share corners with six equivalent CrLi12 cuboctahedra, corners with twelve equivalent LiLi8Cr4 cuboctahedra, edges with eighteen equivalent LiLi8Cr4 cuboctahedra, faces with eight equivalent CrLi12 cuboctahedra, and faces with twelve equivalent LiLi8Cr4 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:
- 1315542
- Report Number(s):
- mp-977229
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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