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Title: Materials Data on FeNiP by Materials Project

Abstract

FeNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Fe2+ is bonded to five P3- atoms to form distorted FeP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent FeP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent FeP5 trigonal bipyramids. There are one shorter (2.31 Å) and four longer (2.45 Å) Fe–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent FeP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent FeP5 trigonal bipyramids. There are two shorter (2.18 Å) and two longer (2.26 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Fe2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Fe2+ and three equivalent Ni1+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-1080653
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; FeNiP; Fe-Ni-P
OSTI Identifier:
1689130
DOI:
https://doi.org/10.17188/1689130

Citation Formats

The Materials Project. Materials Data on FeNiP by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689130.
The Materials Project. Materials Data on FeNiP by Materials Project. United States. doi:https://doi.org/10.17188/1689130
The Materials Project. 2020. "Materials Data on FeNiP by Materials Project". United States. doi:https://doi.org/10.17188/1689130. https://www.osti.gov/servlets/purl/1689130. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1689130,
title = {Materials Data on FeNiP by Materials Project},
author = {The Materials Project},
abstractNote = {FeNiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Fe2+ is bonded to five P3- atoms to form distorted FeP5 trigonal bipyramids that share corners with six equivalent NiP4 tetrahedra, corners with ten equivalent FeP5 trigonal bipyramids, edges with six equivalent NiP4 tetrahedra, and edges with six equivalent FeP5 trigonal bipyramids. There are one shorter (2.31 Å) and four longer (2.45 Å) Fe–P bond lengths. Ni1+ is bonded to four P3- atoms to form NiP4 tetrahedra that share corners with ten equivalent NiP4 tetrahedra, corners with six equivalent FeP5 trigonal bipyramids, edges with two equivalent NiP4 tetrahedra, and edges with six equivalent FeP5 trigonal bipyramids. There are two shorter (2.18 Å) and two longer (2.26 Å) Ni–P bond lengths. There are two inequivalent P3- sites. In the first P3- site, P3- is bonded in a 9-coordinate geometry to three equivalent Fe2+ and six equivalent Ni1+ atoms. In the second P3- site, P3- is bonded in a 9-coordinate geometry to six equivalent Fe2+ and three equivalent Ni1+ atoms.},
doi = {10.17188/1689130},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}