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Title: Materials Data on Mg2H6Ru by Materials Project

Abstract

Mg2RuH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent RuH6 octahedra. All Mg–H bond lengths are 2.35 Å. Ru2+ is bonded to six equivalent H1- atoms to form RuH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Ru–H bond lengths are 1.68 Å. H1- is bonded to four equivalent Mg2+ and one Ru2+ atom to form a mixture of edge, corner, and face-sharing HMg4Ru square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-697030
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; Mg2H6Ru; H-Mg-Ru
OSTI Identifier:
1285092
DOI:
10.17188/1285092

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg2H6Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285092.
Persson, Kristin, & Project, Materials. Materials Data on Mg2H6Ru by Materials Project. United States. doi:10.17188/1285092.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg2H6Ru by Materials Project". United States. doi:10.17188/1285092. https://www.osti.gov/servlets/purl/1285092. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1285092,
title = {Materials Data on Mg2H6Ru by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg2RuH6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Mg2+ is bonded to twelve equivalent H1- atoms to form MgH12 cuboctahedra that share corners with twelve equivalent MgH12 cuboctahedra, faces with six equivalent MgH12 cuboctahedra, and faces with four equivalent RuH6 octahedra. All Mg–H bond lengths are 2.35 Å. Ru2+ is bonded to six equivalent H1- atoms to form RuH6 octahedra that share faces with eight equivalent MgH12 cuboctahedra. All Ru–H bond lengths are 1.68 Å. H1- is bonded to four equivalent Mg2+ and one Ru2+ atom to form a mixture of edge, corner, and face-sharing HMg4Ru square pyramids.},
doi = {10.17188/1285092},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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