Materials Data on HfTaV4 by Materials Project
HfTaV4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Hf is bonded in a 12-coordinate geometry to four equivalent Ta and twelve equivalent V atoms. All Hf–Ta bond lengths are 3.12 Å. All Hf–V bond lengths are 2.99 Å. Ta is bonded in a 12-coordinate geometry to four equivalent Hf and twelve equivalent V atoms. All Ta–V bond lengths are 2.99 Å. V is bonded to three equivalent Hf, three equivalent Ta, and six equivalent V atoms to form a mixture of edge, face, and corner-sharing VHf3Ta3V6 cuboctahedra. All V–V bond lengths are 2.55 Å.
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