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Title: Materials Data on YbMg3 by Materials Project

Abstract

Mg3Yb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Yb atoms to form MgYb4Mg8 cuboctahedra that share corners with four equivalent MgYb4Mg8 cuboctahedra, corners with eight equivalent YbMg12 cuboctahedra, edges with eight equivalent MgYb4Mg8 cuboctahedra, faces with four equivalent MgYb4Mg8 cuboctahedra, and faces with six equivalent YbMg12 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Yb bond lengths are 3.58 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Yb atoms. All Mg–Yb bond lengths are 3.24 Å. Yb is bonded to twelve Mg atoms to form distorted YbMg12 cuboctahedra that share corners with four equivalent YbMg12 cuboctahedra, corners with eight equivalent MgYb4Mg8 cuboctahedra, edges with eight equivalent YbMg12 cuboctahedra, faces with four equivalent YbMg12 cuboctahedra, and faces with six equivalent MgYb4Mg8 cuboctahedra.

Authors:
Publication Date:
Other Number(s):
mp-1187626
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; YbMg3; Mg-Yb
OSTI Identifier:
1680410
DOI:
https://doi.org/10.17188/1680410

Citation Formats

The Materials Project. Materials Data on YbMg3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1680410.
The Materials Project. Materials Data on YbMg3 by Materials Project. United States. doi:https://doi.org/10.17188/1680410
The Materials Project. 2020. "Materials Data on YbMg3 by Materials Project". United States. doi:https://doi.org/10.17188/1680410. https://www.osti.gov/servlets/purl/1680410. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1680410,
title = {Materials Data on YbMg3 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg3Yb is alpha bismuth trifluoride structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to eight equivalent Mg and four equivalent Yb atoms to form MgYb4Mg8 cuboctahedra that share corners with four equivalent MgYb4Mg8 cuboctahedra, corners with eight equivalent YbMg12 cuboctahedra, edges with eight equivalent MgYb4Mg8 cuboctahedra, faces with four equivalent MgYb4Mg8 cuboctahedra, and faces with six equivalent YbMg12 cuboctahedra. All Mg–Mg bond lengths are 3.24 Å. All Mg–Yb bond lengths are 3.58 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Mg and four equivalent Yb atoms. All Mg–Yb bond lengths are 3.24 Å. Yb is bonded to twelve Mg atoms to form distorted YbMg12 cuboctahedra that share corners with four equivalent YbMg12 cuboctahedra, corners with eight equivalent MgYb4Mg8 cuboctahedra, edges with eight equivalent YbMg12 cuboctahedra, faces with four equivalent YbMg12 cuboctahedra, and faces with six equivalent MgYb4Mg8 cuboctahedra.},
doi = {10.17188/1680410},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}