Materials Data on WN2 by Materials Project
WN2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent W6+ sites. In the first W6+ site, W6+ is bonded to six N3- atoms to form a mixture of distorted edge and corner-sharing WN6 octahedra. The corner-sharing octahedral tilt angles are 32°. There are a spread of W–N bond distances ranging from 1.87–2.32 Å. In the second W6+ site, W6+ is bonded in a 6-coordinate geometry to six N3- atoms. There are a spread of W–N bond distances ranging from 1.82–2.45 Å. There are four inequivalent N3- sites. In the first N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to three W6+ atoms. In the third N3- site, N3- is bonded in a linear geometry to two W6+ atoms. In the fourth N3- site, N3- is bonded in a 4-coordinate geometry to four 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:
- 1685986
- Report Number(s):
- mp-1101178
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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