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Title: Materials Data on YMg5 by Materials Project

Abstract

Mg5Y is Magnesium-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eight equivalent YY2Mg10 cuboctahedra, edges with ten MgY4Mg8 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.26 Å) and ten longer (3.27 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Y atoms to form MgY4Mg8 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with four equivalent YY2Mg10 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, faces with four equivalent YY2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.31 Å. All Mg–Y bond lengths are 3.28 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with six equivalent YY2Mg10 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. There are two shorter (3.26more » Å) and four longer (3.29 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.31 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgY4Mg8 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.33 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.26 Å. Both Mg–Y bond lengths are 3.29 Å. Y is bonded to ten Mg and two equivalent Y atoms to form YY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with four equivalent YY2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Y–Y bond lengths are 3.26 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1094482
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; YMg5; Mg-Y
OSTI Identifier:
1688156
DOI:
https://doi.org/10.17188/1688156

Citation Formats

The Materials Project. Materials Data on YMg5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1688156.
The Materials Project. Materials Data on YMg5 by Materials Project. United States. doi:https://doi.org/10.17188/1688156
The Materials Project. 2020. "Materials Data on YMg5 by Materials Project". United States. doi:https://doi.org/10.17188/1688156. https://www.osti.gov/servlets/purl/1688156. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1688156,
title = {Materials Data on YMg5 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg5Y is Magnesium-derived structured and crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are five inequivalent Mg sites. In the first Mg site, Mg is bonded to twelve Mg atoms to form MgMg12 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eight equivalent YY2Mg10 cuboctahedra, edges with ten MgY4Mg8 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.26 Å) and ten longer (3.27 Å) Mg–Mg bond lengths. In the second Mg site, Mg is bonded to eight Mg and four equivalent Y atoms to form MgY4Mg8 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with four equivalent YY2Mg10 cuboctahedra, edges with fourteen MgMg12 cuboctahedra, faces with four equivalent YY2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.26–3.31 Å. All Mg–Y bond lengths are 3.28 Å. In the third Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with eighteen MgMg12 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with six equivalent YY2Mg10 cuboctahedra, and faces with fourteen MgMg12 cuboctahedra. There are two shorter (3.26 Å) and four longer (3.29 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.31 Å. In the fourth Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgY4Mg8 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. There are two shorter (3.23 Å) and two longer (3.26 Å) Mg–Mg bond lengths. Both Mg–Y bond lengths are 3.33 Å. In the fifth Mg site, Mg is bonded to ten Mg and two equivalent Y atoms to form MgY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with three equivalent YY2Mg10 cuboctahedra, edges with fifteen MgMg12 cuboctahedra, faces with two equivalent YY2Mg10 cuboctahedra, and faces with eighteen MgMg12 cuboctahedra. Both Mg–Mg bond lengths are 3.26 Å. Both Mg–Y bond lengths are 3.29 Å. Y is bonded to ten Mg and two equivalent Y atoms to form YY2Mg10 cuboctahedra that share corners with six equivalent YY2Mg10 cuboctahedra, corners with twelve MgY2Mg10 cuboctahedra, edges with eighteen MgMg12 cuboctahedra, faces with four equivalent YY2Mg10 cuboctahedra, and faces with sixteen MgMg12 cuboctahedra. Both Y–Y bond lengths are 3.26 Å.},
doi = {10.17188/1688156},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}