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Title: Materials Data on Nb2(VSi)3 by Materials Project

Abstract

Nb2(VSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NbSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb–Si bond lengths are 2.64 Å. V+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of V–Si bond distances ranging from 2.46–2.76 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five equivalent V+2.67+ atoms.

Publication Date:
Other Number(s):
mp-1220775
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Nb2(VSi)3; Nb-Si-V
OSTI Identifier:
1651741
DOI:
https://doi.org/10.17188/1651741

Citation Formats

The Materials Project. Materials Data on Nb2(VSi)3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1651741.
The Materials Project. Materials Data on Nb2(VSi)3 by Materials Project. United States. doi:https://doi.org/10.17188/1651741
The Materials Project. 2019. "Materials Data on Nb2(VSi)3 by Materials Project". United States. doi:https://doi.org/10.17188/1651741. https://www.osti.gov/servlets/purl/1651741. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1651741,
title = {Materials Data on Nb2(VSi)3 by Materials Project},
author = {The Materials Project},
abstractNote = {Nb2(VSi)3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. Nb2+ is bonded to six equivalent Si4- atoms to form a mixture of edge, corner, and face-sharing NbSi6 octahedra. The corner-sharing octahedral tilt angles are 39°. All Nb–Si bond lengths are 2.64 Å. V+2.67+ is bonded in a 5-coordinate geometry to five equivalent Si4- atoms. There are a spread of V–Si bond distances ranging from 2.46–2.76 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nb2+ and five equivalent V+2.67+ atoms.},
doi = {10.17188/1651741},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}