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Title: Materials Data on Lu2Ni17 by Materials Project

Abstract

Lu2Ni17 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 Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.86–3.19 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.82–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Lu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.72 Å. In the second Ni site, Ni is bonded to two equivalent Lu and ten Ni atoms to form NiLu2Ni10 cuboctahedra that share corners with fourteen NiLu2Ni10 cuboctahedra, edges with six equivalent NiLu3Ni9 cuboctahedra, and faces with ten NiLu2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Lu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. In the fourth Ni site,more » Ni is bonded to three Lu and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLu3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1202260
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; Lu2Ni17; Lu-Ni
OSTI Identifier:
1689700
DOI:
https://doi.org/10.17188/1689700

Citation Formats

The Materials Project. Materials Data on Lu2Ni17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1689700.
The Materials Project. Materials Data on Lu2Ni17 by Materials Project. United States. doi:https://doi.org/10.17188/1689700
The Materials Project. 2020. "Materials Data on Lu2Ni17 by Materials Project". United States. doi:https://doi.org/10.17188/1689700. https://www.osti.gov/servlets/purl/1689700. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1689700,
title = {Materials Data on Lu2Ni17 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Ni17 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 Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.86–3.19 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to twenty Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.82–3.10 Å. There are four inequivalent Ni sites. In the first Ni site, Ni is bonded in a 2-coordinate geometry to one Lu and thirteen Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.37–2.72 Å. In the second Ni site, Ni is bonded to two equivalent Lu and ten Ni atoms to form NiLu2Ni10 cuboctahedra that share corners with fourteen NiLu2Ni10 cuboctahedra, edges with six equivalent NiLu3Ni9 cuboctahedra, and faces with ten NiLu2Ni10 cuboctahedra. There are four shorter (2.38 Å) and four longer (2.39 Å) Ni–Ni bond lengths. In the third Ni site, Ni is bonded in a 12-coordinate geometry to two Lu and ten Ni atoms. There are a spread of Ni–Ni bond distances ranging from 2.38–2.52 Å. In the fourth Ni site, Ni is bonded to three Lu and nine Ni atoms to form a mixture of distorted face, edge, and corner-sharing NiLu3Ni9 cuboctahedra. Both Ni–Ni bond lengths are 2.37 Å.},
doi = {10.17188/1689700},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}