Materials Data on Li2CuAs by Materials Project
Li2CuAs crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Li1+ is bonded to four equivalent As3- atoms to form a mixture of distorted corner, edge, and face-sharing LiAs4 tetrahedra. There are one shorter (2.66 Å) and three longer (2.75 Å) Li–As bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent As3- atoms. All Cu–As bond lengths are 2.42 Å. As3- is bonded in a 11-coordinate geometry to eight equivalent Li1+ and three equivalent Cu1+ atoms.
- 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:
- 1191320
- Report Number(s):
- mp-15686
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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