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Title: Materials Data on MgBe13 by Materials Project

Abstract

MgBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Mg is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms. All Mg–Be bond lengths are 2.97 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.12 Å. In the second Be site, Be is bonded to two equivalent Mg and ten Be atoms to form distorted BeMg2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeMg2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.27 Å.

Authors:
Publication Date:
Other Number(s):
mp-855
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; MgBe13; Be-Mg
OSTI Identifier:
1309151
DOI:
https://doi.org/10.17188/1309151

Citation Formats

The Materials Project. Materials Data on MgBe13 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1309151.
The Materials Project. Materials Data on MgBe13 by Materials Project. United States. doi:https://doi.org/10.17188/1309151
The Materials Project. 2020. "Materials Data on MgBe13 by Materials Project". United States. doi:https://doi.org/10.17188/1309151. https://www.osti.gov/servlets/purl/1309151. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1309151,
title = {Materials Data on MgBe13 by Materials Project},
author = {The Materials Project},
abstractNote = {MgBe13 crystallizes in the cubic Fm-3c space group. The structure is three-dimensional. Mg is bonded in a 1-coordinate geometry to twenty-four equivalent Be atoms. All Mg–Be bond lengths are 2.97 Å. There are two inequivalent Be sites. In the first Be site, Be is bonded to twelve equivalent Be atoms to form a mixture of corner and face-sharing BeBe12 cuboctahedra. All Be–Be bond lengths are 2.12 Å. In the second Be site, Be is bonded to two equivalent Mg and ten Be atoms to form distorted BeMg2Be10 cuboctahedra that share corners with twenty-eight BeBe12 cuboctahedra, edges with eight equivalent BeMg2Be10 cuboctahedra, and faces with twenty-five BeBe12 cuboctahedra. There are a spread of Be–Be bond distances ranging from 2.17–2.27 Å.},
doi = {10.17188/1309151},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}