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Title: Materials Data on Y5Mg by Materials Project

Abstract

MgY5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Y atoms. There are a spread of Mg–Y bond distances ranging from 3.41–3.60 Å. There are five inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Mg and ten Y atoms to form YY10Mg2 cuboctahedra that share corners with eighteen YY10Mg2 cuboctahedra, edges with twelve YY9Mg3 cuboctahedra, and faces with seventeen YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.49–3.63 Å. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form a mixture of face, edge, and corner-sharing YY9Mg3 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.42–3.59 Å. In the third Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of face, edge, and corner-sharing YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.47–3.62 Å. In the fourth Y site, Y is bonded to one Mg and eleven Y atoms to form a mixture of face, edge, and corner-sharing YY11Mg cuboctahedra. There are two shorter (3.47more » Å) and two longer (3.59 Å) Y–Y bond lengths. In the fifth Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of face, edge, and corner-sharing YY10Mg2 cuboctahedra. Both Y–Y bond lengths are 3.59 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1094415
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; Y5Mg; Mg-Y
OSTI Identifier:
1748632
DOI:
https://doi.org/10.17188/1748632

Citation Formats

The Materials Project. Materials Data on Y5Mg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748632.
The Materials Project. Materials Data on Y5Mg by Materials Project. United States. doi:https://doi.org/10.17188/1748632
The Materials Project. 2020. "Materials Data on Y5Mg by Materials Project". United States. doi:https://doi.org/10.17188/1748632. https://www.osti.gov/servlets/purl/1748632. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748632,
title = {Materials Data on Y5Mg by Materials Project},
author = {The Materials Project},
abstractNote = {MgY5 crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mg is bonded in a 12-coordinate geometry to ten Y atoms. There are a spread of Mg–Y bond distances ranging from 3.41–3.60 Å. There are five inequivalent Y sites. In the first Y site, Y is bonded to two equivalent Mg and ten Y atoms to form YY10Mg2 cuboctahedra that share corners with eighteen YY10Mg2 cuboctahedra, edges with twelve YY9Mg3 cuboctahedra, and faces with seventeen YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.49–3.63 Å. In the second Y site, Y is bonded to three equivalent Mg and nine Y atoms to form a mixture of face, edge, and corner-sharing YY9Mg3 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.42–3.59 Å. In the third Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of face, edge, and corner-sharing YY10Mg2 cuboctahedra. There are a spread of Y–Y bond distances ranging from 3.47–3.62 Å. In the fourth Y site, Y is bonded to one Mg and eleven Y atoms to form a mixture of face, edge, and corner-sharing YY11Mg cuboctahedra. There are two shorter (3.47 Å) and two longer (3.59 Å) Y–Y bond lengths. In the fifth Y site, Y is bonded to two equivalent Mg and ten Y atoms to form a mixture of face, edge, and corner-sharing YY10Mg2 cuboctahedra. Both Y–Y bond lengths are 3.59 Å.},
doi = {10.17188/1748632},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}