Materials Data on MoN by Materials Project
MoN is Tungsten Carbide-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Mo3+ sites. In the first Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of distorted corner, edge, and face-sharing MoN6 pentagonal pyramids. The corner-sharing octahedral tilt angles are 44°. All Mo–N bond lengths are 2.16 Å. In the second Mo3+ site, Mo3+ is bonded to six equivalent N3- atoms to form a mixture of corner, edge, and face-sharing MoN6 octahedra. All Mo–N bond lengths are 2.22 Å. N3- is bonded to six Mo3+ atoms to form a mixture of distorted corner, edge, and face-sharing NMo6 pentagonal pyramids.
- 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:
- 1725329
- Report Number(s):
- mp-1078389
- Country of Publication:
- United States
- Language:
- English
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