Materials Data on Nb2N3 by Materials Project
Nb2N3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nb+4.50+ sites. In the first Nb+4.50+ site, Nb+4.50+ is bonded to seven N3- atoms to form a mixture of distorted edge and corner-sharing NbN7 pentagonal bipyramids. There are a spread of Nb–N bond distances ranging from 2.10–2.24 Å. In the second Nb+4.50+ site, Nb+4.50+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Nb–N bond distances ranging from 2.19–2.57 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Nb+4.50+ atoms to form a mixture of distorted edge and corner-sharing NNb5 trigonal bipyramids. In the second N3- site, N3- is bonded to five Nb+4.50+ atoms to form a mixture of distorted edge and corner-sharing NNb5 trigonal bipyramids. In the third N3- site, N3- is bonded in a 4-coordinate geometry to five Nb+4.50+ atoms.
- 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:
- 1746454
- Report Number(s):
- mp-1188869
- Country of Publication:
- United States
- Language:
- English
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