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DOE OSTI · 1747862

Materials Data on Ti3(Co10B3)2 by Materials Project

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Abstract

Ti3(Co10B3)2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a cuboctahedral geometry to twelve equivalent Co atoms. All Ti–Co bond lengths are 2.54 Å. In the second Ti site, Ti is bonded in a distorted tetrahedral geometry to four equivalent Co atoms. All Ti–Co bond lengths are 2.41 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to one Ti and three equivalent B atoms to form a mixture of edge and corner-sharing CoTiB3 tetrahedra. All Co–B bond lengths are 2.10 Å. In the second Co site, Co is bonded in a 2-coordinate geometry to one Ti and two equivalent B atoms. Both Co–B bond lengths are 2.08 Å. B is bonded in a 8-coordinate geometry to eight Co atoms.

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36 MATERIALS SCIENCEB-Co-Ticrystal structureTi3(Co10B3)2

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2020-06-04. Materials Data on Ti3(Co10B3)2 by Materials Project. https://doi.org/10.17188/1747862

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