Materials Data on Ta3SiNi2 by Materials Project
Ta3Ni2Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to four equivalent Ni and two equivalent Si atoms. There are two shorter (2.67 Å) and two longer (2.74 Å) Ta–Ni bond lengths. Both Ta–Si bond lengths are 2.76 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Ta, three equivalent Ni, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.63 Å. All Ni–Si bond lengths are 2.42 Å. Si is bonded to six equivalent Ta and six equivalent Ni atoms to form face-sharing SiTa6Ni6 cuboctahedra.
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