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Title: Materials Data on YMg by Materials Project

Abstract

MgY is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and six Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.49 Å. There are a spread of Mg–Y bond distances ranging from 3.29–3.62 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg and seven Y atoms. There are a spread of Mg–Y bond distances ranging from 3.27–3.43 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Mg and seven Y atoms. There are a spread of Mg–Y bond distances ranging from 3.33–3.50 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to seven Mg and five Y atoms. There are a spread of Y–Y bond distances ranging from 3.49–3.63 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to six Mg and six Y atoms. There are two shorter (3.49 Å) and two longer (3.51 Å) Y–Ymore » bond lengths. In the third Y site, Y is bonded to seven Mg and five Y atoms to form a mixture of distorted corner and face-sharing YY5Mg7 cuboctahedra. Both Y–Y bond lengths are 3.49 Å.« less

Authors:
Publication Date:
Other Number(s):
mp-1094420
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; YMg; Mg-Y
OSTI Identifier:
1748026
DOI:
https://doi.org/10.17188/1748026

Citation Formats

The Materials Project. Materials Data on YMg by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748026.
The Materials Project. Materials Data on YMg by Materials Project. United States. doi:https://doi.org/10.17188/1748026
The Materials Project. 2020. "Materials Data on YMg by Materials Project". United States. doi:https://doi.org/10.17188/1748026. https://www.osti.gov/servlets/purl/1748026. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1748026,
title = {Materials Data on YMg by Materials Project},
author = {The Materials Project},
abstractNote = {MgY is Bergman Structure: Mg32(Al,Zn)49 Bergman-derived structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. there are three inequivalent Mg sites. In the first Mg site, Mg is bonded in a 12-coordinate geometry to six Mg and six Y atoms. There are a spread of Mg–Mg bond distances ranging from 3.20–3.49 Å. There are a spread of Mg–Y bond distances ranging from 3.29–3.62 Å. In the second Mg site, Mg is bonded in a 11-coordinate geometry to two equivalent Mg and seven Y atoms. There are a spread of Mg–Y bond distances ranging from 3.27–3.43 Å. In the third Mg site, Mg is bonded in a 9-coordinate geometry to two equivalent Mg and seven Y atoms. There are a spread of Mg–Y bond distances ranging from 3.33–3.50 Å. There are three inequivalent Y sites. In the first Y site, Y is bonded in a 12-coordinate geometry to seven Mg and five Y atoms. There are a spread of Y–Y bond distances ranging from 3.49–3.63 Å. In the second Y site, Y is bonded in a 12-coordinate geometry to six Mg and six Y atoms. There are two shorter (3.49 Å) and two longer (3.51 Å) Y–Y bond lengths. In the third Y site, Y is bonded to seven Mg and five Y atoms to form a mixture of distorted corner and face-sharing YY5Mg7 cuboctahedra. Both Y–Y bond lengths are 3.49 Å.},
doi = {10.17188/1748026},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}