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DOE OSTI · 1205207

Materials Data on Ti3Pt5 by Materials Project

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Abstract

Pt5Ti3 crystallizes in the orthorhombic Ibam space group. The structure is three-dimensional. there are two inequivalent Ti+3.33+ sites. In the first Ti+3.33+ site, Ti+3.33+ is bonded in a distorted q6 geometry to ten Pt2- atoms. There are a spread of Ti–Pt bond distances ranging from 2.67–2.86 Å. In the second Ti+3.33+ site, Ti+3.33+ is bonded to eight Pt2- atoms to form a mixture of distorted edge and corner-sharing TiPt8 hexagonal bipyramids. There are a spread of Ti–Pt bond distances ranging from 2.64–2.75 Å. There are three inequivalent Pt2- sites. In the first Pt2- site, Pt2- is bonded in a 6-coordinate geometry to six Ti+3.33+ atoms. In the second Pt2- site, Pt2- is bonded in a 12-coordinate geometry to five Ti+3.33+ atoms. In the third Pt2- site, Pt2- is bonded to six Ti+3.33+ atoms to form a mixture of distorted edge and corner-sharing PtTi6 cuboctahedra.

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36 MATERIALS SCIENCEcrystal structurePt-TiTi3Pt5

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2020-07-14. Materials Data on Ti3Pt5 by Materials Project. https://doi.org/10.17188/1205207

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