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Title: Materials Data on Eu(MgH3)2 by Materials Project

Abstract

EuMg2H6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six H1- atoms. There are a spread of Mg–H bond distances ranging from 1.80–2.22 Å. Eu2+ is bonded to twelve H1- atoms to form a mixture of corner and face-sharing EuH12 cuboctahedra. There are eight shorter (2.52 Å) and four longer (2.65 Å) Eu–H bond lengths. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and two equivalent Eu2+ atoms. In the second H1- site, H1- is bonded to two equivalent Mg2+ and four equivalent Eu2+ atoms to form a mixture of corner and edge-sharing HEu4Mg2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third H1- site, H1- is bonded in a linear geometry to two equivalent Mg2+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643738
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; Eu(MgH3)2; Eu-H-Mg
OSTI Identifier:
1280353
DOI:
10.17188/1280353

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Eu(MgH3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280353.
Persson, Kristin, & Project, Materials. Materials Data on Eu(MgH3)2 by Materials Project. United States. doi:10.17188/1280353.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Eu(MgH3)2 by Materials Project". United States. doi:10.17188/1280353. https://www.osti.gov/servlets/purl/1280353. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1280353,
title = {Materials Data on Eu(MgH3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {EuMg2H6 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Mg2+ is bonded in a 6-coordinate geometry to six H1- atoms. There are a spread of Mg–H bond distances ranging from 1.80–2.22 Å. Eu2+ is bonded to twelve H1- atoms to form a mixture of corner and face-sharing EuH12 cuboctahedra. There are eight shorter (2.52 Å) and four longer (2.65 Å) Eu–H bond lengths. There are three inequivalent H1- sites. In the first H1- site, H1- is bonded in a 2-coordinate geometry to two equivalent Mg2+ and two equivalent Eu2+ atoms. In the second H1- site, H1- is bonded to two equivalent Mg2+ and four equivalent Eu2+ atoms to form a mixture of corner and edge-sharing HEu4Mg2 octahedra. The corner-sharing octahedral tilt angles are 0°. In the third H1- site, H1- is bonded in a linear geometry to two equivalent Mg2+ atoms.},
doi = {10.17188/1280353},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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