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Title: Materials Data on Y2Mg by Materials Project

Abstract

MgY2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form MgY9Mg3 cuboctahedra that share corners with six equivalent YY6Mg6 cuboctahedra, corners with twelve equivalent MgY9Mg3 cuboctahedra, edges with six equivalent MgY9Mg3 cuboctahedra, edges with twelve equivalent YY8Mg4 cuboctahedra, faces with four equivalent MgY9Mg3 cuboctahedra, and faces with sixteen YY8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.46 Å. There are six shorter (3.46 Å) and three longer (3.49 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Mg and eight Y atoms to form YY8Mg4 cuboctahedra that share corners with eighteen equivalent YY8Mg4 cuboctahedra, edges with eight equivalent MgY9Mg3 cuboctahedra, edges with ten YY8Mg4 cuboctahedra, faces with eight equivalent MgY9Mg3 cuboctahedra, and faces with twelve YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.40–3.50 Å. In the second Y site, Y is bonded to six equivalent Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent YY6Mg6 cuboctahedra, corners with twelve equivalent MgY9Mg3 cuboctahedra, edges with eighteen YY8Mg4 cuboctahedra, faces with eight equivalent MgY9Mg3more » cuboctahedra, and faces with twelve equivalent YY8Mg4 cuboctahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1094378
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; Y2Mg; Mg-Y
OSTI Identifier:
1740478
DOI:
https://doi.org/10.17188/1740478

Citation Formats

The Materials Project. Materials Data on Y2Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1740478.
The Materials Project. Materials Data on Y2Mg by Materials Project. United States. doi:https://doi.org/10.17188/1740478
The Materials Project. 2020. "Materials Data on Y2Mg by Materials Project". United States. doi:https://doi.org/10.17188/1740478. https://www.osti.gov/servlets/purl/1740478. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1740478,
title = {Materials Data on Y2Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgY2 crystallizes in the trigonal R32 space group. The structure is three-dimensional. Mg is bonded to three equivalent Mg and nine Y atoms to form MgY9Mg3 cuboctahedra that share corners with six equivalent YY6Mg6 cuboctahedra, corners with twelve equivalent MgY9Mg3 cuboctahedra, edges with six equivalent MgY9Mg3 cuboctahedra, edges with twelve equivalent YY8Mg4 cuboctahedra, faces with four equivalent MgY9Mg3 cuboctahedra, and faces with sixteen YY8Mg4 cuboctahedra. All Mg–Mg bond lengths are 3.46 Å. There are six shorter (3.46 Å) and three longer (3.49 Å) Mg–Y bond lengths. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Mg and eight Y atoms to form YY8Mg4 cuboctahedra that share corners with eighteen equivalent YY8Mg4 cuboctahedra, edges with eight equivalent MgY9Mg3 cuboctahedra, edges with ten YY8Mg4 cuboctahedra, faces with eight equivalent MgY9Mg3 cuboctahedra, and faces with twelve YY8Mg4 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.40–3.50 Å. In the second Y site, Y is bonded to six equivalent Mg and six equivalent Y atoms to form YY6Mg6 cuboctahedra that share corners with six equivalent YY6Mg6 cuboctahedra, corners with twelve equivalent MgY9Mg3 cuboctahedra, edges with eighteen YY8Mg4 cuboctahedra, faces with eight equivalent MgY9Mg3 cuboctahedra, and faces with twelve equivalent YY8Mg4 cuboctahedra.},
doi = {10.17188/1740478},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}