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Title: Materials Data on V4Ni2N by Materials Project

Abstract

V4Ni2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All V–Ni bond lengths are 2.34 Å. In the second V site, V is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent N atoms. There are two shorter (2.58 Å) and two longer (2.87 Å) V–Ni bond lengths. Both V–N bond lengths are 2.01 Å. Ni is bonded in a 12-coordinate geometry to nine V and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.51 Å. N is bonded to six equivalent V atoms to form corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 35°.

Authors:
Publication Date:
Other Number(s):
mp-1193390
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; V4Ni2N; N-Ni-V
OSTI Identifier:
1750966
DOI:
https://doi.org/10.17188/1750966

Citation Formats

The Materials Project. Materials Data on V4Ni2N by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1750966.
The Materials Project. Materials Data on V4Ni2N by Materials Project. United States. doi:https://doi.org/10.17188/1750966
The Materials Project. 2020. "Materials Data on V4Ni2N by Materials Project". United States. doi:https://doi.org/10.17188/1750966. https://www.osti.gov/servlets/purl/1750966. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1750966,
title = {Materials Data on V4Ni2N by Materials Project},
author = {The Materials Project},
abstractNote = {V4Ni2N crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent V sites. In the first V site, V is bonded in a 6-coordinate geometry to six equivalent Ni atoms. All V–Ni bond lengths are 2.34 Å. In the second V site, V is bonded in a distorted bent 150 degrees geometry to four equivalent Ni and two equivalent N atoms. There are two shorter (2.58 Å) and two longer (2.87 Å) V–Ni bond lengths. Both V–N bond lengths are 2.01 Å. Ni is bonded in a 12-coordinate geometry to nine V and three equivalent Ni atoms. All Ni–Ni bond lengths are 2.51 Å. N is bonded to six equivalent V atoms to form corner-sharing NV6 octahedra. The corner-sharing octahedral tilt angles are 35°.},
doi = {10.17188/1750966},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}