Materials Data on Ta5Ge3B by Materials Project
Ta5BGe3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to six equivalent Ge atoms. All Ta–Ge bond lengths are 2.72 Å. In the second Ta site, Ta is bonded in a 7-coordinate geometry to two equivalent B and five equivalent Ge atoms. Both Ta–B bond lengths are 2.32 Å. There are a spread of Ta–Ge bond distances ranging from 2.71–2.95 Å. B is bonded to six equivalent Ta atoms to form face-sharing BTa6 octahedra. Ge is bonded in a 9-coordinate geometry to nine Ta atoms.
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