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Title: Materials Data on Lu2Co17 by Materials Project

Abstract

Lu2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Lu–Co bond distances ranging from 2.90–3.23 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Lu–Co bond distances ranging from 2.88–3.12 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Lu and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.67 Å. In the second Co site, Co is bonded to two equivalent Lu and ten Co atoms to form CoLu2Co10 cuboctahedra that share corners with fourteen CoLu2Co10 cuboctahedra, edges with six equivalent CoLu3Co9 cuboctahedra, and faces with ten CoLu2Co10 cuboctahedra. All Co–Co bond lengths are 2.39 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two Lu and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.51 Å. In the fourth Co site, Co is bonded to three Lu andmore » nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoLu3Co9 cuboctahedra. Both Co–Co bond lengths are 2.40 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1204082
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; Lu2Co17; Co-Lu
OSTI Identifier:
1672731
DOI:
https://doi.org/10.17188/1672731

Citation Formats

The Materials Project. Materials Data on Lu2Co17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1672731.
The Materials Project. Materials Data on Lu2Co17 by Materials Project. United States. doi:https://doi.org/10.17188/1672731
The Materials Project. 2020. "Materials Data on Lu2Co17 by Materials Project". United States. doi:https://doi.org/10.17188/1672731. https://www.osti.gov/servlets/purl/1672731. Pub date:Thu Jun 04 00:00:00 EDT 2020
@article{osti_1672731,
title = {Materials Data on Lu2Co17 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Co17 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 12-coordinate geometry to eighteen Co atoms. There are a spread of Lu–Co bond distances ranging from 2.90–3.23 Å. In the second Lu site, Lu is bonded in a 2-coordinate geometry to twenty Co atoms. There are a spread of Lu–Co bond distances ranging from 2.88–3.12 Å. There are four inequivalent Co sites. In the first Co site, Co is bonded in a 2-coordinate geometry to one Lu and thirteen Co atoms. There are a spread of Co–Co bond distances ranging from 2.31–2.67 Å. In the second Co site, Co is bonded to two equivalent Lu and ten Co atoms to form CoLu2Co10 cuboctahedra that share corners with fourteen CoLu2Co10 cuboctahedra, edges with six equivalent CoLu3Co9 cuboctahedra, and faces with ten CoLu2Co10 cuboctahedra. All Co–Co bond lengths are 2.39 Å. In the third Co site, Co is bonded in a 12-coordinate geometry to two Lu and ten Co atoms. There are a spread of Co–Co bond distances ranging from 2.33–2.51 Å. In the fourth Co site, Co is bonded to three Lu and nine Co atoms to form a mixture of distorted face, edge, and corner-sharing CoLu3Co9 cuboctahedra. Both Co–Co bond lengths are 2.40 Å.},
doi = {10.17188/1672731},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {6}
}