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Title: Materials Data on PrNi5 by Materials Project

Abstract

PrNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Pr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Pr and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.

Authors:
Publication Date:
Other Number(s):
mp-2370
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; PrNi5; Ni-Pr
OSTI Identifier:
1199668
DOI:
https://doi.org/10.17188/1199668

Citation Formats

The Materials Project. Materials Data on PrNi5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1199668.
The Materials Project. Materials Data on PrNi5 by Materials Project. United States. doi:https://doi.org/10.17188/1199668
The Materials Project. 2020. "Materials Data on PrNi5 by Materials Project". United States. doi:https://doi.org/10.17188/1199668. https://www.osti.gov/servlets/purl/1199668. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1199668,
title = {Materials Data on PrNi5 by Materials Project},
author = {The Materials Project},
abstractNote = {PrNi5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Pr is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are six shorter (2.87 Å) and twelve longer (3.18 Å) Pr–Ni bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Pr and six equivalent Ni atoms. All Ni–Ni bond lengths are 2.45 Å. In the second Ni site, Ni is bonded to four equivalent Pr and eight Ni atoms to form a mixture of corner, edge, and face-sharing NiPr4Ni8 cuboctahedra. All Ni–Ni bond lengths are 2.49 Å.},
doi = {10.17188/1199668},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}