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DOE OSTI · 1280240

Materials Data on Mg2H4Ru by Materials Project

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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.

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36 MATERIALS SCIENCEcrystal structureH-Mg-RuMg2H4Ru

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2020-07-16. Materials Data on Mg2H4Ru by Materials Project. https://doi.org/10.17188/1280240

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