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DOE OSTI · 1274233

Materials Data on Ti2Bi by Materials Project

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Abstract

Ti2Bi crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 5-coordinate geometry to four equivalent Ti and five equivalent Bi atoms. All Ti–Ti bond lengths are 2.87 Å. There are one shorter (2.99 Å) and four longer (3.00 Å) Ti–Bi bond lengths. In the second Ti site, Ti is bonded to eight Ti and four equivalent Bi atoms to form a mixture of distorted face and corner-sharing TiTi8Bi4 cuboctahedra. All Ti–Ti bond lengths are 3.00 Å. All Ti–Bi bond lengths are 3.00 Å. Bi is bonded in a 9-coordinate geometry to nine Ti atoms.

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36 MATERIALS SCIENCEBi-Ticrystal structureTi2Bi

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2020-07-16. Materials Data on Ti2Bi by Materials Project. https://doi.org/10.17188/1274233

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