U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VNi3 by Materials Project
Abstract
Ni3V is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to twelve Ni atoms to form VNi12 cuboctahedra that share corners with four equivalent VNi12 cuboctahedra, corners with eight equivalent NiV4Ni8 cuboctahedra, edges with eight equivalent VNi12 cuboctahedra, edges with sixteen equivalent NiV4Ni8 cuboctahedra, faces with four equivalent VNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.49 Å) and eight longer (2.52 Å) V–Ni bond lengths. 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 VNi12 cuboctahedra, edges with sixteen NiV4Ni8 cuboctahedra, faces with four equivalent VNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.52 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to four equivalent V and eight equivalent Ni atoms to form NiV4Ni8 cuboctahedra that share corners with four equivalent NiV4Ni8 cuboctahedra, corners with eight equivalent VNi12 cuboctahedra, edges with twenty-four NiV4Ni8 cuboctahedra, faces with six equivalent VNi12 cuboctahedra, and faces withmore »
- Publication Date:
- Other Number(s):
- mp-171
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Ni-V; VNi3; crystal structure
- OSTI Identifier:
- 1192331
- DOI:
- https://doi.org/10.17188/1192331
Citation Formats
Materials Data on VNi3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1192331.
Materials Data on VNi3 by Materials Project. United States. doi:https://doi.org/10.17188/1192331
2020.
"Materials Data on VNi3 by Materials Project". United States. doi:https://doi.org/10.17188/1192331. https://www.osti.gov/servlets/purl/1192331. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1192331,
title = {Materials Data on VNi3 by Materials Project},
abstractNote = {Ni3V is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. V is bonded to twelve Ni atoms to form VNi12 cuboctahedra that share corners with four equivalent VNi12 cuboctahedra, corners with eight equivalent NiV4Ni8 cuboctahedra, edges with eight equivalent VNi12 cuboctahedra, edges with sixteen equivalent NiV4Ni8 cuboctahedra, faces with four equivalent VNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.49 Å) and eight longer (2.52 Å) V–Ni bond lengths. 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 VNi12 cuboctahedra, edges with sixteen NiV4Ni8 cuboctahedra, faces with four equivalent VNi12 cuboctahedra, and faces with fourteen NiV4Ni8 cuboctahedra. There are four shorter (2.49 Å) and four longer (2.52 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to four equivalent V and eight equivalent Ni atoms to form NiV4Ni8 cuboctahedra that share corners with four equivalent NiV4Ni8 cuboctahedra, corners with eight equivalent VNi12 cuboctahedra, edges with twenty-four NiV4Ni8 cuboctahedra, faces with six equivalent VNi12 cuboctahedra, and faces with twelve NiV4Ni8 cuboctahedra.},
doi = {10.17188/1192331},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}