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DOE OSTI · 1281866

Materials Data on Ni3Sb by Materials Project

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Abstract

Ni3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Ni1+ sites. In the first Ni1+ site, Ni1+ is bonded to four equivalent Sb3- atoms to form a mixture of edge and corner-sharing NiSb4 trigonal pyramids. There are three shorter (2.60 Å) and one longer (2.66 Å) Ni–Sb bond lengths. In the second Ni1+ site, Ni1+ is bonded in a see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.66 Å) and two longer (2.68 Å) Ni–Sb bond lengths. Sb3- is bonded to twelve Ni1+ atoms to form a mixture of edge, face, and corner-sharing SbNi12 cuboctahedra.

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36 MATERIALS SCIENCEcrystal structureNi-SbNi3Sb

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2020-07-15. Materials Data on Ni3Sb by Materials Project. https://doi.org/10.17188/1281866

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