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Title: Materials Data on YMg2 by Materials Project

Abstract

Mg2Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.39 Å. There are a spread of Mg–Y bond distances ranging from 3.42–3.63 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to seven Mg and four equivalent Y atoms. There are two shorter (3.07 Å) and two longer (3.39 Å) Mg–Mg bond lengths. All Mg–Y bond lengths are 3.30 Å. Y is bonded in a 12-coordinate geometry to nine Mg and three equivalent Y atoms. There are two shorter (3.39 Å) and one longer (3.48 Å) Y–Y bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1094454
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; YMg2; Mg-Y
OSTI Identifier:
1738131
DOI:
https://doi.org/10.17188/1738131

Citation Formats

The Materials Project. Materials Data on YMg2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1738131.
The Materials Project. Materials Data on YMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1738131
The Materials Project. 2020. "Materials Data on YMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1738131. https://www.osti.gov/servlets/purl/1738131. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1738131,
title = {Materials Data on YMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Y is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mg sites. In the first Mg site, Mg is bonded to seven Mg and five equivalent Y atoms to form a mixture of corner, edge, and face-sharing MgY5Mg7 cuboctahedra. There are a spread of Mg–Mg bond distances ranging from 3.16–3.39 Å. There are a spread of Mg–Y bond distances ranging from 3.42–3.63 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to seven Mg and four equivalent Y atoms. There are two shorter (3.07 Å) and two longer (3.39 Å) Mg–Mg bond lengths. All Mg–Y bond lengths are 3.30 Å. Y is bonded in a 12-coordinate geometry to nine Mg and three equivalent Y atoms. There are two shorter (3.39 Å) and one longer (3.48 Å) Y–Y bond lengths.},
doi = {10.17188/1738131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}