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DOE OSTI · 1189332

Materials Data on Ti5CuSb2 by Materials Project

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Abstract

CuSb2Ti5 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Cu and four equivalent Sb atoms. Both Ti–Cu bond lengths are 2.70 Å. There are two shorter (2.79 Å) and two longer (3.01 Å) Ti–Sb bond lengths. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.57 Å. All Ti–Sb bond lengths are 2.74 Å. Cu is bonded in a 10-coordinate geometry to eight equivalent Ti and two equivalent Cu atoms. Both Cu–Cu bond lengths are 2.57 Å. Sb is bonded in a 10-coordinate geometry to ten Ti atoms.

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36 MATERIALS SCIENCEcrystal structureCu-Sb-TiTi5CuSb2

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2020-07-18. Materials Data on Ti5CuSb2 by Materials Project. https://doi.org/10.17188/1189332

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