Materials Data on Cu3As by Materials Project
Cu3As crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cu1+ is bonded in a see-saw-like geometry to four equivalent As3- atoms. There are two shorter (2.65 Å) and two longer (2.66 Å) Cu–As bond lengths. As3- is bonded to twelve equivalent Cu1+ atoms to form a mixture of face and corner-sharing AsCu12 cuboctahedra.
- 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:
- 1727035
- Report Number(s):
- mp-1184017
- Country of Publication:
- United States
- Language:
- English
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