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DOE OSTI · 1314085

Materials Data on SbPt3 by Materials Project

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Abstract

Pt3Sb is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Pt+0.67+ sites. In the first Pt+0.67+ site, Pt+0.67+ is bonded to four equivalent Sb2- atoms to form PtSb4 tetrahedra that share corners with twelve equivalent PtSb6 octahedra, corners with sixteen equivalent PtSb4 tetrahedra, edges with six equivalent PtSb4 tetrahedra, and faces with four equivalent PtSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Pt–Sb bond lengths are 2.82 Å. In the second Pt+0.67+ site, Pt+0.67+ is bonded to six equivalent Sb2- atoms to form PtSb6 octahedra that share corners with six equivalent PtSb6 octahedra, corners with twenty-four equivalent PtSb4 tetrahedra, edges with twelve equivalent PtSb6 octahedra, and faces with eight equivalent PtSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Pt–Sb bond lengths are 3.26 Å. Sb2- is bonded in a distorted body-centered cubic geometry to fourteen Pt+0.67+ atoms.

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36 MATERIALS SCIENCEcrystal structurePt-SbSbPt3

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2020-07-24. Materials Data on SbPt3 by Materials Project. https://doi.org/10.17188/1314085

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