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Title: Materials Data on BaHfMg2 by Materials Project

Abstract

BaMg2Hf crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to ten Mg and four equivalent Hf atoms. There are four shorter (3.35 Å) and six longer (3.87 Å) Ba–Mg bond lengths. All Ba–Hf bond lengths are 3.35 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ba, four equivalent Mg, and four equivalent Hf atoms. All Mg–Mg bond lengths are 3.35 Å. All Mg–Hf bond lengths are 3.35 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Mg atoms. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Mg atoms.

Publication Date:
Other Number(s):
mp-631500
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; BaHfMg2; Ba-Hf-Mg
OSTI Identifier:
1279190
DOI:
10.17188/1279190

Citation Formats

The Materials Project. Materials Data on BaHfMg2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1279190.
The Materials Project. Materials Data on BaHfMg2 by Materials Project. United States. doi:10.17188/1279190.
The Materials Project. 2020. "Materials Data on BaHfMg2 by Materials Project". United States. doi:10.17188/1279190. https://www.osti.gov/servlets/purl/1279190. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1279190,
title = {Materials Data on BaHfMg2 by Materials Project},
author = {The Materials Project},
abstractNote = {BaMg2Hf crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ba is bonded in a distorted body-centered cubic geometry to ten Mg and four equivalent Hf atoms. There are four shorter (3.35 Å) and six longer (3.87 Å) Ba–Mg bond lengths. All Ba–Hf bond lengths are 3.35 Å. There are two inequivalent Mg sites. In the first Mg site, Mg is bonded in a 8-coordinate geometry to six equivalent Ba, four equivalent Mg, and four equivalent Hf atoms. All Mg–Mg bond lengths are 3.35 Å. All Mg–Hf bond lengths are 3.35 Å. In the second Mg site, Mg is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Mg atoms. Hf is bonded in a distorted body-centered cubic geometry to four equivalent Ba and four equivalent Mg atoms.},
doi = {10.17188/1279190},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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