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DOE OSTI · 1724939

Materials Data on MgPt5 by Materials Project

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Abstract

MgPt5 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Mg2+ is bonded in a 10-coordinate geometry to ten Pt+0.40- atoms. There are a spread of Mg–Pt bond distances ranging from 2.70–2.95 Å. There are five inequivalent Pt+0.40- sites. In the first Pt+0.40- site, Pt+0.40- is bonded to twelve Pt+0.40- atoms to form PtPt12 cuboctahedra that share corners with twelve PtPt12 cuboctahedra, edges with three equivalent PtMg2Pt10 cuboctahedra, and faces with six PtPt12 cuboctahedra. There are a spread of Pt–Pt bond distances ranging from 2.76–3.02 Å. In the second Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to four equivalent Mg2+ and four Pt+0.40- atoms. Both Pt–Pt bond lengths are 2.79 Å. In the third Pt+0.40- site, Pt+0.40- is bonded to two equivalent Mg2+ and ten Pt+0.40- atoms to form a mixture of edge, face, and corner-sharing PtMg2Pt10 cuboctahedra. There are four shorter (2.77 Å) and two longer (2.81 Å) Pt–Pt bond lengths. In the fourth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and four equivalent Pt+0.40- atoms. In the fifth Pt+0.40- site, Pt+0.40- is bonded in a 12-coordinate geometry to two equivalent Mg2+ and six Pt+0.40- atoms.

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36 MATERIALS SCIENCEcrystal structureMg-PtMgPt5

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2020-05-03. Materials Data on MgPt5 by Materials Project. https://doi.org/10.17188/1724939

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