Materials Data on CrAs by Materials Project
CrAs is Molybdenum Carbide MAX Phase-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Cr3+ is bonded to six equivalent As3- atoms to form a mixture of corner, edge, and face-sharing CrAs6 octahedra. The corner-sharing octahedral tilt angles are 49°. All Cr–As bond lengths are 2.53 Å. As3- is bonded in a 6-coordinate geometry to six equivalent Cr3+ 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:
- 1274523
- Report Number(s):
- mp-568565
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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