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Title: Materials Data on Lu2Ga3Ni14 by Materials Project

Abstract

Lu2Ni14Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.84–3.23 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to fourteen Ni and six Ga atoms. There are a spread of Lu–Ni bond distances ranging from 2.87–3.06 Å. All Lu–Ga bond lengths are 3.14 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three Lu, seven Ni, and two Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.61 Å. Both Ni–Ga bond lengths are 2.41 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three Lu, seven Ni, and two equivalent Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.62 Å. Both Ni–Ga bond lengths are 2.41 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to one Lu, ten Ni, and three Ga atoms. There are one shorter (2.38 Å) and sixmore » longer (2.79 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.54 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. There are one shorter (2.41 Å) and one longer (2.63 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.43 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. There are one shorter (2.41 Å) and one longer (2.63 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.43 Å. In the sixth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. Both Ni–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Lu and ten Ni atoms to form a mixture of distorted face and corner-sharing GaLu2Ni10 cuboctahedra. In the second Ga site, Ga is bonded to two equivalent Lu and ten Ni atoms to form a mixture of distorted face and corner-sharing GaLu2Ni10 cuboctahedra.« less

Publication Date:
Other Number(s):
mp-1200461
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Lu2Ga3Ni14; Ga-Lu-Ni
OSTI Identifier:
1727216
DOI:
https://doi.org/10.17188/1727216

Citation Formats

The Materials Project. Materials Data on Lu2Ga3Ni14 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1727216.
The Materials Project. Materials Data on Lu2Ga3Ni14 by Materials Project. United States. doi:https://doi.org/10.17188/1727216
The Materials Project. 2020. "Materials Data on Lu2Ga3Ni14 by Materials Project". United States. doi:https://doi.org/10.17188/1727216. https://www.osti.gov/servlets/purl/1727216. Pub date:Tue May 05 00:00:00 EDT 2020
@article{osti_1727216,
title = {Materials Data on Lu2Ga3Ni14 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu2Ni14Ga3 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Lu sites. In the first Lu site, Lu is bonded in a 6-coordinate geometry to eighteen Ni atoms. There are a spread of Lu–Ni bond distances ranging from 2.84–3.23 Å. In the second Lu site, Lu is bonded in a 8-coordinate geometry to fourteen Ni and six Ga atoms. There are a spread of Lu–Ni bond distances ranging from 2.87–3.06 Å. All Lu–Ga bond lengths are 3.14 Å. There are six inequivalent Ni sites. In the first Ni site, Ni is bonded in a 12-coordinate geometry to three Lu, seven Ni, and two Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.40–2.61 Å. Both Ni–Ga bond lengths are 2.41 Å. In the second Ni site, Ni is bonded in a 12-coordinate geometry to three Lu, seven Ni, and two equivalent Ga atoms. There are a spread of Ni–Ni bond distances ranging from 2.48–2.62 Å. Both Ni–Ga bond lengths are 2.41 Å. In the third Ni site, Ni is bonded in a 5-coordinate geometry to one Lu, ten Ni, and three Ga atoms. There are one shorter (2.38 Å) and six longer (2.79 Å) Ni–Ni bond lengths. All Ni–Ga bond lengths are 2.54 Å. In the fourth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. There are one shorter (2.41 Å) and one longer (2.63 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.43 Å. In the fifth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. There are one shorter (2.41 Å) and one longer (2.63 Å) Ni–Ni bond lengths. Both Ni–Ga bond lengths are 2.43 Å. In the sixth Ni site, Ni is bonded in a 12-coordinate geometry to two Lu, eight Ni, and two equivalent Ga atoms. Both Ni–Ga bond lengths are 2.43 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded to two equivalent Lu and ten Ni atoms to form a mixture of distorted face and corner-sharing GaLu2Ni10 cuboctahedra. In the second Ga site, Ga is bonded to two equivalent Lu and ten Ni atoms to form a mixture of distorted face and corner-sharing GaLu2Ni10 cuboctahedra.},
doi = {10.17188/1727216},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}