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DOE OSTI · 1187325

Materials Data on TiPRu by Materials Project

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Abstract

TiRuP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 11-coordinate geometry to six equivalent Ru and five P atoms. There are two shorter (2.78 Å) and four longer (2.92 Å) Ti–Ru bond lengths. There are one shorter (2.61 Å) and four longer (2.63 Å) Ti–P bond lengths. Ru is bonded in a 12-coordinate geometry to six equivalent Ti, two equivalent Ru, and four P atoms. Both Ru–Ru bond lengths are 2.72 Å. There are two shorter (2.39 Å) and two longer (2.42 Å) Ru–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Ru atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Ru atoms.

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36 MATERIALS SCIENCEcrystal structureP-Ru-TiTiPRu

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2020-07-16. Materials Data on TiPRu by Materials Project. https://doi.org/10.17188/1187325

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