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DOE OSTI · 1196096

Materials Data on Cu3Sb by Materials Project

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Abstract

Cu3Sb is beta Cu3Ti structured and crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. there are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent Sb3- atoms. There are two shorter (2.76 Å) and two longer (2.83 Å) Cu–Sb bond lengths. In the second Cu1+ site, Cu1+ is bonded in a 4-coordinate geometry to four equivalent Sb3- atoms. There are a spread of Cu–Sb bond distances ranging from 2.75–2.89 Å. Sb3- is bonded to twelve Cu1+ atoms to form a mixture of face, edge, and corner-sharing SbCu12 cuboctahedra.

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36 MATERIALS SCIENCEcrystal structureCu-SbCu3Sb

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2020-07-14. Materials Data on Cu3Sb by Materials Project. https://doi.org/10.17188/1196096

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