Materials Data on Cu3N by Materials Project
Cu3N is trigonal omega-like structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 3-coordinate geometry to three equivalent Cu1+ and three equivalent N3- atoms. All Cu–Cu bond lengths are 2.56 Å. All Cu–N bond lengths are 2.04 Å. In the second Cu1+ site, Cu1+ is bonded in a 6-coordinate geometry to six equivalent Cu1+ atoms. N3- is bonded to six equivalent Cu1+ atoms to form edge-sharing NCu6 octahedra.
- 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:
- 1748318
- Report Number(s):
- mp-1225746
- Country of Publication:
- United States
- Language:
- English
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