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Title: Materials Data on TmMg3 by Materials Project

Abstract

Mg3Tm is Uranium Silicide structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with twelve equivalent MgTm4Mg8 cuboctahedra, edges with eight equivalent TmMg12 cuboctahedra, faces with four equivalent TmMg12 cuboctahedra, and faces with six equivalent MgTm4Mg8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.21 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.51 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.20 Å. In the third Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.21 Å. Tm is bonded to twelve Mg atoms to form distorted TmMg12 cuboctahedra that share corners with twelve equivalent TmMg12 cuboctahedra, edges with eight equivalent MgTm4Mg8 cuboctahedra, faces with four equivalent MgTm4Mg8 cuboctahedra, and faces with six equivalent TmMg12 cuboctahedra.

Publication Date:
Other Number(s):
mp-1187597
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; TmMg3; Mg-Tm
OSTI Identifier:
1729236
DOI:
https://doi.org/10.17188/1729236

Citation Formats

The Materials Project. Materials Data on TmMg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1729236.
The Materials Project. Materials Data on TmMg3 by Materials Project. United States. doi:https://doi.org/10.17188/1729236
The Materials Project. 2020. "Materials Data on TmMg3 by Materials Project". United States. doi:https://doi.org/10.17188/1729236. https://www.osti.gov/servlets/purl/1729236. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1729236,
title = {Materials Data on TmMg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Tm is Uranium Silicide structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded to eight Mg and four equivalent Tm atoms to form MgTm4Mg8 cuboctahedra that share corners with twelve equivalent MgTm4Mg8 cuboctahedra, edges with eight equivalent TmMg12 cuboctahedra, faces with four equivalent TmMg12 cuboctahedra, and faces with six equivalent MgTm4Mg8 cuboctahedra. There are four shorter (3.20 Å) and four longer (3.21 Å) Mg–Mg bond lengths. All Mg–Tm bond lengths are 3.51 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.20 Å. In the third Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Tm atoms. All Mg–Tm bond lengths are 3.21 Å. Tm is bonded to twelve Mg atoms to form distorted TmMg12 cuboctahedra that share corners with twelve equivalent TmMg12 cuboctahedra, edges with eight equivalent MgTm4Mg8 cuboctahedra, faces with four equivalent MgTm4Mg8 cuboctahedra, and faces with six equivalent TmMg12 cuboctahedra.},
doi = {10.17188/1729236},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}