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DOE OSTI · 1665269

Materials Data on Si3Ru5 by Materials Project

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Abstract

Ru5Si3 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. there are three inequivalent Ru+2.40+ sites. In the first Ru+2.40+ site, Ru+2.40+ is bonded to six Si4- atoms to form a mixture of distorted edge and corner-sharing RuSi6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are four shorter (2.54 Å) and two longer (2.68 Å) Ru–Si bond lengths. In the second Ru+2.40+ site, Ru+2.40+ is bonded in a 5-coordinate geometry to five Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.39–2.77 Å. In the third Ru+2.40+ site, Ru+2.40+ is bonded in a 4-coordinate geometry to six Si4- atoms. There are a spread of Ru–Si bond distances ranging from 2.42–2.99 Å. There are two inequivalent Si4- sites. In the first Si4- site, Si4- is bonded in a body-centered cubic geometry to eight Ru+2.40+ atoms. In the second Si4- site, Si4- is bonded in a 10-coordinate geometry to ten Ru+2.40+ atoms.

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36 MATERIALS SCIENCEcrystal structureRu-SiSi3Ru5

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2020-07-14. Materials Data on Si3Ru5 by Materials Project. https://doi.org/10.17188/1665269

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