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Title: Materials Data on Lu6GaNi2 by Materials Project

Abstract

Lu6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.70 Å) and one longer (3.09 Å) Lu–Ni bond lengths. There are one shorter (2.95 Å) and one longer (3.16 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.67 Å) and two longer (2.82 Å) Lu–Ni bond lengths. The Lu–Ga bond length is 3.21 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.84 Å) and one longer (3.07 Å) Lu–Ni bond lengths. There are one shorter (3.10 Å) and one longer (3.55 Å) Lu–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.74 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu andmore » one Ni atom. The Ni–Ni bond length is 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Lu atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Lu atoms.« less

Publication Date:
Other Number(s):
mp-1105906
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; Lu6GaNi2; Ga-Lu-Ni
OSTI Identifier:
1699339
DOI:
https://doi.org/10.17188/1699339

Citation Formats

The Materials Project. Materials Data on Lu6GaNi2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1699339.
The Materials Project. Materials Data on Lu6GaNi2 by Materials Project. United States. doi:https://doi.org/10.17188/1699339
The Materials Project. 2020. "Materials Data on Lu6GaNi2 by Materials Project". United States. doi:https://doi.org/10.17188/1699339. https://www.osti.gov/servlets/purl/1699339. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1699339,
title = {Materials Data on Lu6GaNi2 by Materials Project},
author = {The Materials Project},
abstractNote = {Lu6Ni2Ga crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. there are three inequivalent Lu sites. In the first Lu site, Lu is bonded in a 4-coordinate geometry to two Ni and two Ga atoms. There are one shorter (2.70 Å) and one longer (3.09 Å) Lu–Ni bond lengths. There are one shorter (2.95 Å) and one longer (3.16 Å) Lu–Ga bond lengths. In the second Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and one Ga atom. There are one shorter (2.67 Å) and two longer (2.82 Å) Lu–Ni bond lengths. The Lu–Ga bond length is 3.21 Å. In the third Lu site, Lu is bonded in a 4-coordinate geometry to three Ni and two Ga atoms. There are two shorter (2.84 Å) and one longer (3.07 Å) Lu–Ni bond lengths. There are one shorter (3.10 Å) and one longer (3.55 Å) Lu–Ga bond lengths. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.74 Å. In the second Ni site, Ni is bonded in a 9-coordinate geometry to eight Lu and one Ni atom. The Ni–Ni bond length is 2.47 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a body-centered cubic geometry to eight Lu atoms. In the second Ga site, Ga is bonded in a cuboctahedral geometry to twelve Lu atoms.},
doi = {10.17188/1699339},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}