DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Nd2Co17 by Materials Project

Abstract

Nd2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.02–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Nd and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Nd and ten Co atoms to form CoNd2Co10 cuboctahedra that share corners with fourteen CoNd2Co10 cuboctahedra, edges with six equivalent CoNd3Co9 cuboctahedra, and faces with ten CoNd2Co10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the fourth Co site, Co is bonded to three equivalent Nd and nine Co atoms to form a mixture of edge, corner, and face-sharing CoNd3Co9 cuboctahedra. Both Co–Co bond lengths are 2.48 Å.

Authors:
Publication Date:
Other Number(s):
mp-356
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; Nd2Co17; Co-Nd
OSTI Identifier:
1207016
DOI:
https://doi.org/10.17188/1207016

Citation Formats

The Materials Project. Materials Data on Nd2Co17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1207016.
The Materials Project. Materials Data on Nd2Co17 by Materials Project. United States. doi:https://doi.org/10.17188/1207016
The Materials Project. 2020. "Materials Data on Nd2Co17 by Materials Project". United States. doi:https://doi.org/10.17188/1207016. https://www.osti.gov/servlets/purl/1207016. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1207016,
title = {Materials Data on Nd2Co17 by Materials Project},
author = {The Materials Project},
abstractNote = {Nd2Co17 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Nd is bonded in a 10-coordinate geometry to nineteen Co atoms. There are a spread of Nd–Co bond distances ranging from 3.02–3.25 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Nd and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.34–2.66 Å. In the second Co site, Co is bonded to two equivalent Nd and ten Co atoms to form CoNd2Co10 cuboctahedra that share corners with fourteen CoNd2Co10 cuboctahedra, edges with six equivalent CoNd3Co9 cuboctahedra, and faces with ten CoNd2Co10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.40 Å) Co–Co bond lengths. In the third Co site, Co is bonded in a 12-coordinate geometry to two equivalent Nd and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.39–2.60 Å. In the fourth Co site, Co is bonded to three equivalent Nd and nine Co atoms to form a mixture of edge, corner, and face-sharing CoNd3Co9 cuboctahedra. Both Co–Co bond lengths are 2.48 Å.},
doi = {10.17188/1207016},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}