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Title: Materials Data on VNi3 by Materials Project

Abstract

Ni3V is beta Cu3Ti-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. V is bonded to four equivalent V and eight equivalent Ni atoms to form VV4Ni8 cuboctahedra that share corners with four equivalent VV4Ni8 cuboctahedra, corners with eight equivalent NiNi12 cuboctahedra, edges with twenty-four NiV4Ni8 cuboctahedra, faces with eight equivalent VV4Ni8 cuboctahedra, and faces with ten NiV4Ni8 cuboctahedra. All V–V bond lengths are 2.52 Å. All V–Ni bond lengths are 2.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent V and eight Ni atoms to form NiV4Ni8 cuboctahedra that share corners with twelve equivalent NiV4Ni8 cuboctahedra, edges with eight equivalent VV4Ni8 cuboctahedra, edges with sixteen NiV4Ni8 cuboctahedra, faces with four equivalent VV4Ni8 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.52 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to twelve Ni atoms to form NiNi12 cuboctahedra that share corners with four equivalent NiNi12 cuboctahedra, corners with eight equivalent VV4Ni8 cuboctahedra, edges with eight equivalent VV4Ni8 cuboctahedra, edges with sixteen equivalent NiV4Ni8 cuboctahedra, faces with two equivalent VV4Ni8 cuboctahedra, and faces withmore » sixteen NiV4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å.« less

Publication Date:
Other Number(s):
mp-1216314
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; VNi3; Ni-V
OSTI Identifier:
1662323
DOI:
https://doi.org/10.17188/1662323

Citation Formats

The Materials Project. Materials Data on VNi3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1662323.
The Materials Project. Materials Data on VNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1662323
The Materials Project. 2020. "Materials Data on VNi3 by Materials Project". United States. doi:https://doi.org/10.17188/1662323. https://www.osti.gov/servlets/purl/1662323. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1662323,
title = {Materials Data on VNi3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ni3V is beta Cu3Ti-like structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. V is bonded to four equivalent V and eight equivalent Ni atoms to form VV4Ni8 cuboctahedra that share corners with four equivalent VV4Ni8 cuboctahedra, corners with eight equivalent NiNi12 cuboctahedra, edges with twenty-four NiV4Ni8 cuboctahedra, faces with eight equivalent VV4Ni8 cuboctahedra, and faces with ten NiV4Ni8 cuboctahedra. All V–V bond lengths are 2.52 Å. All V–Ni bond lengths are 2.53 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to four equivalent V and eight Ni atoms to form NiV4Ni8 cuboctahedra that share corners with twelve equivalent NiV4Ni8 cuboctahedra, edges with eight equivalent VV4Ni8 cuboctahedra, edges with sixteen NiV4Ni8 cuboctahedra, faces with four equivalent VV4Ni8 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.52 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to twelve Ni atoms to form NiNi12 cuboctahedra that share corners with four equivalent NiNi12 cuboctahedra, corners with eight equivalent VV4Ni8 cuboctahedra, edges with eight equivalent VV4Ni8 cuboctahedra, edges with sixteen equivalent NiV4Ni8 cuboctahedra, faces with two equivalent VV4Ni8 cuboctahedra, and faces with sixteen NiV4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.52 Å.},
doi = {10.17188/1662323},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}