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Title: Materials Data on TmGa4Ni by Materials Project

Abstract

TmNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Tm–Ni bond lengths are 3.11 Å. There are a spread of Tm–Ga bond distances ranging from 2.88–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.51 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Tm and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.84 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Tm, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.92 Å) Ga–Ga bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1095433
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; TmGa4Ni; Ga-Ni-Tm
OSTI Identifier:
1718384
DOI:
https://doi.org/10.17188/1718384

Citation Formats

The Materials Project. Materials Data on TmGa4Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1718384.
The Materials Project. Materials Data on TmGa4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1718384
The Materials Project. 2020. "Materials Data on TmGa4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1718384. https://www.osti.gov/servlets/purl/1718384. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1718384,
title = {Materials Data on TmGa4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {TmNiGa4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 1-coordinate geometry to two equivalent Ni and thirteen Ga atoms. Both Tm–Ni bond lengths are 3.11 Å. There are a spread of Tm–Ga bond distances ranging from 2.88–3.38 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Ga atoms. There are a spread of Ni–Ga bond distances ranging from 2.34–2.51 Å. There are three inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to four equivalent Tm and six Ga atoms. There are two shorter (2.82 Å) and four longer (2.84 Å) Ga–Ga bond lengths. In the second Ga site, Ga is bonded in a distorted linear geometry to three equivalent Tm, one Ni, and eight Ga atoms. All Ga–Ga bond lengths are 2.99 Å. In the third Ga site, Ga is bonded in a 12-coordinate geometry to three equivalent Tm, three equivalent Ni, and six Ga atoms. There are one shorter (2.62 Å) and two longer (2.92 Å) Ga–Ga bond lengths.},
doi = {10.17188/1718384},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}