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Title: Materials Data on Tm4MgNi by Materials Project

Abstract

Tm4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tm atoms to form a mixture of face and corner-sharing MgTm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. There are a spread of Mg–Tm bond distances ranging from 3.23–3.48 Å. There are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Tm, and three equivalent Ni atoms. All Tm–Tm bond lengths are 3.45 Å. All Tm–Ni bond lengths are 2.75 Å. In the second Tm site, Tm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Tm, and two equivalent Ni atoms. All Tm–Tm bond lengths are 3.56 Å. Both Tm–Ni bond lengths are 2.76 Å. In the third Tm site, Tm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Tm, and two equivalent Ni atoms. All Tm–Tm bond lengths are 3.51 Å. Both Tm–Ni bond lengths are 3.44 Å. Ni is bonded in a 6-coordinate geometry to nine Tm atoms.

Authors:
Publication Date:
Other Number(s):
mp-1208029
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; Tm4MgNi; Mg-Ni-Tm
OSTI Identifier:
1683757
DOI:
https://doi.org/10.17188/1683757

Citation Formats

The Materials Project. Materials Data on Tm4MgNi by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1683757.
The Materials Project. Materials Data on Tm4MgNi by Materials Project. United States. doi:https://doi.org/10.17188/1683757
The Materials Project. 2020. "Materials Data on Tm4MgNi by Materials Project". United States. doi:https://doi.org/10.17188/1683757. https://www.osti.gov/servlets/purl/1683757. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1683757,
title = {Materials Data on Tm4MgNi by Materials Project},
author = {The Materials Project},
abstractNote = {Tm4NiMg crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Tm atoms to form a mixture of face and corner-sharing MgTm9Mg3 cuboctahedra. All Mg–Mg bond lengths are 3.02 Å. There are a spread of Mg–Tm bond distances ranging from 3.23–3.48 Å. There are three inequivalent Tm sites. In the first Tm site, Tm is bonded in a 3-coordinate geometry to three equivalent Mg, three equivalent Tm, and three equivalent Ni atoms. All Tm–Tm bond lengths are 3.45 Å. All Tm–Ni bond lengths are 2.75 Å. In the second Tm site, Tm is bonded in a bent 150 degrees geometry to two equivalent Mg, four equivalent Tm, and two equivalent Ni atoms. All Tm–Tm bond lengths are 3.56 Å. Both Tm–Ni bond lengths are 2.76 Å. In the third Tm site, Tm is bonded in a 4-coordinate geometry to two equivalent Mg, ten Tm, and two equivalent Ni atoms. All Tm–Tm bond lengths are 3.51 Å. Both Tm–Ni bond lengths are 3.44 Å. Ni is bonded in a 6-coordinate geometry to nine Tm atoms.},
doi = {10.17188/1683757},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}