Materials Data on WN2 by Materials Project
WN2 is Brookite-like structured and crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. W6+ is bonded to six N3- atoms to form a mixture of distorted corner and edge-sharing WN6 octahedra. The corner-sharing octahedra tilt angles range from 15–65°. There are a spread of W–N bond distances ranging from 1.86–2.36 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted T-shaped geometry to three equivalent W6+ atoms. In the second N3- site, N3- is bonded in a 2-coordinate geometry to three equivalent W6+ 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:
- 1290253
- Report Number(s):
- mp-755880
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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