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Title: Materials Data on NbVCN by Materials Project

Abstract

NbVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Nb5+ is bonded to three equivalent C4- and three equivalent N3- atoms to form NbC3N3 octahedra that share corners with six equivalent VC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.23 Å. V2+ is bonded to three equivalent C4- and three equivalent N3- atoms to form VC3N3 octahedra that share corners with six equivalent NbC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All V–C bond lengths are 2.04 Å. All V–N bond lengths are 2.22 Å. C4- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form CNb3V3 octahedra that share corners with six equivalent NNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. N3- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form NNb3V3 octahedra that share corners withmore » six equivalent CNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°.« less

Authors:
Publication Date:
Other Number(s):
mp-1220407
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; NbVCN; C-N-Nb-V
OSTI Identifier:
1732818
DOI:
https://doi.org/10.17188/1732818

Citation Formats

The Materials Project. Materials Data on NbVCN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1732818.
The Materials Project. Materials Data on NbVCN by Materials Project. United States. doi:https://doi.org/10.17188/1732818
The Materials Project. 2020. "Materials Data on NbVCN by Materials Project". United States. doi:https://doi.org/10.17188/1732818. https://www.osti.gov/servlets/purl/1732818. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732818,
title = {Materials Data on NbVCN by Materials Project},
author = {The Materials Project},
abstractNote = {NbVCN is alpha Po-derived structured and crystallizes in the trigonal R3m space group. The structure is three-dimensional. Nb5+ is bonded to three equivalent C4- and three equivalent N3- atoms to form NbC3N3 octahedra that share corners with six equivalent VC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All Nb–C bond lengths are 2.19 Å. All Nb–N bond lengths are 2.23 Å. V2+ is bonded to three equivalent C4- and three equivalent N3- atoms to form VC3N3 octahedra that share corners with six equivalent NbC3N3 octahedra, edges with six equivalent NbC3N3 octahedra, and edges with six equivalent VC3N3 octahedra. The corner-sharing octahedra tilt angles range from 1–6°. All V–C bond lengths are 2.04 Å. All V–N bond lengths are 2.22 Å. C4- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form CNb3V3 octahedra that share corners with six equivalent NNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°. N3- is bonded to three equivalent Nb5+ and three equivalent V2+ atoms to form NNb3V3 octahedra that share corners with six equivalent CNb3V3 octahedra, edges with six equivalent CNb3V3 octahedra, and edges with six equivalent NNb3V3 octahedra. The corner-sharing octahedra tilt angles range from 1–7°.},
doi = {10.17188/1732818},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}