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Title: Materials Data on Lu3Ni11Ge4 by Materials Project

Abstract

Lu3Ni11Ge4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to ten Ni and five Ge atoms. There are a spread of Lu–Ni bond distances ranging from 2.88–2.94 Å. There are one shorter (2.79 Å) and four longer (3.06 Å) Lu–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu, six Ni, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.74 Å. There are two shorter (2.56 Å) and one longer (2.63 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Lu, eight Ni, and two equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.59 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.31 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu, six Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to threemore » equivalent Lu and six equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Lu and eight Ni atoms to form a mixture of distorted face and corner-sharing GeLu4Ni8 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1211040
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; Lu3Ni11Ge4; Ge-Lu-Ni
OSTI Identifier:
1733091
DOI:
https://doi.org/10.17188/1733091

Citation Formats

The Materials Project. Materials Data on Lu3Ni11Ge4 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1733091.
The Materials Project. Materials Data on Lu3Ni11Ge4 by Materials Project. United States. doi:https://doi.org/10.17188/1733091
The Materials Project. 2019. "Materials Data on Lu3Ni11Ge4 by Materials Project". United States. doi:https://doi.org/10.17188/1733091. https://www.osti.gov/servlets/purl/1733091. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1733091,
title = {Materials Data on Lu3Ni11Ge4 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu3Ni11Ge4 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Lu is bonded in a 11-coordinate geometry to ten Ni and five Ge atoms. There are a spread of Lu–Ni bond distances ranging from 2.88–2.94 Å. There are one shorter (2.79 Å) and four longer (3.06 Å) Lu–Ge bond lengths. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu, six Ni, and three Ge atoms. There are a spread of Ni–Ni bond distances ranging from 2.56–2.74 Å. There are two shorter (2.56 Å) and one longer (2.63 Å) Ni–Ge bond lengths. In the second Ni site, Ni is bonded in a 12-coordinate geometry to two equivalent Lu, eight Ni, and two equivalent Ge atoms. There are two shorter (2.52 Å) and two longer (2.59 Å) Ni–Ni bond lengths. Both Ni–Ge bond lengths are 2.31 Å. In the third Ni site, Ni is bonded in a 12-coordinate geometry to three equivalent Lu, six Ni, and three equivalent Ge atoms. All Ni–Ge bond lengths are 2.38 Å. There are two inequivalent Ge sites. In the first Ge site, Ge is bonded in a 9-coordinate geometry to three equivalent Lu and six equivalent Ni atoms. In the second Ge site, Ge is bonded to four equivalent Lu and eight Ni atoms to form a mixture of distorted face and corner-sharing GeLu4Ni8 cuboctahedra.},
doi = {10.17188/1733091},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}