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Title: Materials Data on TmAl4Ni by Materials Project

Abstract

TmNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Tm–Ni bond lengths are 3.07 Å. There are a spread of Tm–Al bond distances ranging from 2.97–3.40 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to four equivalent Tm and six Al atoms. There are four shorter (2.85 Å) and two longer (2.88 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Tm, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tm, three equivalent Ni, and one Al atom.

Publication Date:
Other Number(s):
mp-16518
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; TmAl4Ni; Al-Ni-Tm
OSTI Identifier:
1191970
DOI:
https://doi.org/10.17188/1191970

Citation Formats

The Materials Project. Materials Data on TmAl4Ni by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1191970.
The Materials Project. Materials Data on TmAl4Ni by Materials Project. United States. doi:https://doi.org/10.17188/1191970
The Materials Project. 2020. "Materials Data on TmAl4Ni by Materials Project". United States. doi:https://doi.org/10.17188/1191970. https://www.osti.gov/servlets/purl/1191970. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1191970,
title = {Materials Data on TmAl4Ni by Materials Project},
author = {The Materials Project},
abstractNote = {TmNiAl4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Tm is bonded in a 11-coordinate geometry to two equivalent Ni and thirteen Al atoms. Both Tm–Ni bond lengths are 3.07 Å. There are a spread of Tm–Al bond distances ranging from 2.97–3.40 Å. Ni is bonded in a 9-coordinate geometry to two equivalent Tm and seven Al atoms. There are a spread of Ni–Al bond distances ranging from 2.33–2.48 Å. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted q6 geometry to four equivalent Tm and six Al atoms. There are four shorter (2.85 Å) and two longer (2.88 Å) Al–Al bond lengths. In the second Al site, Al is bonded in a 1-coordinate geometry to three equivalent Tm, one Ni, and four equivalent Al atoms. In the third Al site, Al is bonded in a 3-coordinate geometry to three equivalent Tm, three equivalent Ni, and one Al atom.},
doi = {10.17188/1191970},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}