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Title: 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.

Authors:
Publication Date:
Other Number(s):
mp-1103470
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; VNiP; Ni-P-V
OSTI Identifier:
1676554
DOI:
https://doi.org/10.17188/1676554

Citation Formats

The Materials Project. Materials Data on VNiP by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1676554.
The Materials Project. Materials Data on VNiP by Materials Project. United States. doi:https://doi.org/10.17188/1676554
The Materials Project. 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},
author = {The 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}
}