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Title: Materials Data on CrNiP by Materials Project

Abstract

NiCrP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr2+ is bonded to five equivalent P3- atoms to form distorted CrP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent CrP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent CrP5 trigonal bipyramids. There are a spread of Cr–P bond distances ranging from 2.41–2.56 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 CrP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent CrP5 trigonal bipyramids. There are a spread of Ni–P bond distances ranging from 2.23–2.30 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Cr2+ and four equivalent Ni1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1101790
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; CrNiP; Cr-Ni-P
OSTI Identifier:
1683171
DOI:
https://doi.org/10.17188/1683171

Citation Formats

The Materials Project. Materials Data on CrNiP by Materials Project. United States: N. p., 2018. Web. doi:10.17188/1683171.
The Materials Project. Materials Data on CrNiP by Materials Project. United States. doi:https://doi.org/10.17188/1683171
The Materials Project. 2018. "Materials Data on CrNiP by Materials Project". United States. doi:https://doi.org/10.17188/1683171. https://www.osti.gov/servlets/purl/1683171. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1683171,
title = {Materials Data on CrNiP by Materials Project},
author = {The Materials Project},
abstractNote = {NiCrP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Cr2+ is bonded to five equivalent P3- atoms to form distorted CrP5 trigonal bipyramids that share corners with eight equivalent NiP4 tetrahedra, corners with eight equivalent CrP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent CrP5 trigonal bipyramids. There are a spread of Cr–P bond distances ranging from 2.41–2.56 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 CrP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent CrP5 trigonal bipyramids. There are a spread of Ni–P bond distances ranging from 2.23–2.30 Å. P3- is bonded in a 9-coordinate geometry to five equivalent Cr2+ and four equivalent Ni1+ atoms.},
doi = {10.17188/1683171},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}