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Title: Materials Data on Mg2H4Ru by Materials Project

Abstract

Mg2RuH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 2-coordinate geometry to eight H atoms. There are a spread of Mg–H bond distances ranging from 2.11–2.43 Å. Ru is bonded in a distorted rectangular see-saw-like geometry to four H atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Ru–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Mg and one Ru atom to form a mixture of distorted edge, face, and corner-sharing HMg4Ru square pyramids. In the second H site, H is bonded to four equivalent Mg and one Ru atom to form a mixture of distorted edge, face, and corner-sharing HMg4Ru square pyramids.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-643023
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; Mg2H4Ru; H-Mg-Ru
OSTI Identifier:
1280240
DOI:
10.17188/1280240

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Mg2H4Ru by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280240.
Persson, Kristin, & Project, Materials. Materials Data on Mg2H4Ru by Materials Project. United States. doi:10.17188/1280240.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Mg2H4Ru by Materials Project". United States. doi:10.17188/1280240. https://www.osti.gov/servlets/purl/1280240. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1280240,
title = {Materials Data on Mg2H4Ru by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Mg2RuH4 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Mg is bonded in a 2-coordinate geometry to eight H atoms. There are a spread of Mg–H bond distances ranging from 2.11–2.43 Å. Ru is bonded in a distorted rectangular see-saw-like geometry to four H atoms. There is two shorter (1.67 Å) and two longer (1.70 Å) Ru–H bond length. There are two inequivalent H sites. In the first H site, H is bonded to four equivalent Mg and one Ru atom to form a mixture of distorted edge, face, and corner-sharing HMg4Ru square pyramids. In the second H site, H is bonded to four equivalent Mg and one Ru atom to form a mixture of distorted edge, face, and corner-sharing HMg4Ru square pyramids.},
doi = {10.17188/1280240},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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