U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on VNiP by Materials Project
Abstract
VNiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V2+ is bonded to five equivalent P3- atoms to form distorted VP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent VP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent VP5 trigonal bipyramids. There are a spread of V–P bond distances ranging from 2.44–2.56 Å. Ni1+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent VP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent VP5 trigonal bipyramids. There are one shorter (2.21 Å) and three longer (2.25 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to five equivalent V2+ and four equivalent Ni1+ atoms.
- Publication Date:
- Other Number(s):
- mp-1103470
- 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-P-V; VNiP; crystal structure
- OSTI Identifier:
- 1676554
- DOI:
- https://doi.org/10.17188/1676554
Citation Formats
Materials Data on VNiP by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1676554.
Materials Data on VNiP by Materials Project. United States. doi:https://doi.org/10.17188/1676554
2018.
"Materials Data on VNiP by Materials Project". United States. doi:https://doi.org/10.17188/1676554. https://www.osti.gov/servlets/purl/1676554. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1676554,
title = {Materials Data on VNiP by Materials Project},
abstractNote = {VNiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. V2+ is bonded to five equivalent P3- atoms to form distorted VP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent VP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent VP5 trigonal bipyramids. There are a spread of V–P bond distances ranging from 2.44–2.56 Å. Ni1+ is bonded to four equivalent P3- atoms to form NiP4 tetrahedra that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent VP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent VP5 trigonal bipyramids. There are one shorter (2.21 Å) and three longer (2.25 Å) Ni–P bond lengths. P3- is bonded in a 9-coordinate geometry to five equivalent V2+ and four equivalent Ni1+ atoms.},
doi = {10.17188/1676554},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}