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Title: Materials Data on Nb2N3 by Materials Project

Abstract

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.

Authors:
Publication Date:
Other Number(s):
mp-1188869
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb2N3; N-Nb
OSTI Identifier:
1746454
DOI:
https://doi.org/10.17188/1746454

Citation Formats

The Materials Project. Materials Data on Nb2N3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1746454.
The Materials Project. Materials Data on Nb2N3 by Materials Project. United States. doi:https://doi.org/10.17188/1746454
The Materials Project. 2020. "Materials Data on Nb2N3 by Materials Project". United States. doi:https://doi.org/10.17188/1746454. https://www.osti.gov/servlets/purl/1746454. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1746454,
title = {Materials Data on Nb2N3 by Materials Project},
author = {The Materials Project},
abstractNote = {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.},
doi = {10.17188/1746454},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}