DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on BaMg2 by Materials Project

Abstract

Mg2Ba is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Mg atoms. There are a spread of Ba–Mg bond distances ranging from 3.85–3.92 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ba and six equivalent Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.34 Å. In the second Mg site, Mg is bonded to six equivalent Ba and six Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å.

Authors:
Publication Date:
Other Number(s):
mp-1935
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; BaMg2; Ba-Mg
OSTI Identifier:
1194356
DOI:
https://doi.org/10.17188/1194356

Citation Formats

The Materials Project. Materials Data on BaMg2 by Materials Project. United States: N. p., 2017. Web. doi:10.17188/1194356.
The Materials Project. Materials Data on BaMg2 by Materials Project. United States. doi:https://doi.org/10.17188/1194356
The Materials Project. 2017. "Materials Data on BaMg2 by Materials Project". United States. doi:https://doi.org/10.17188/1194356. https://www.osti.gov/servlets/purl/1194356. Pub date:Tue Jul 18 00:00:00 EDT 2017
@article{osti_1194356,
title = {Materials Data on BaMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {Mg2Ba is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ba is bonded in a 12-coordinate geometry to twelve Mg atoms. There are a spread of Ba–Mg bond distances ranging from 3.85–3.92 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded to six equivalent Ba and six equivalent Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.34 Å. In the second Mg site, Mg is bonded to six equivalent Ba and six Mg atoms to form a mixture of face, edge, and corner-sharing MgBa6Mg6 cuboctahedra. All Mg–Mg bond lengths are 3.28 Å.},
doi = {10.17188/1194356},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}