Materials Data on Nb3SiNi2 by Materials Project
Nb3Ni2Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to four equivalent Ni and two equivalent Si atoms. There are two shorter (2.69 Å) and two longer (2.75 Å) Nb–Ni bond lengths. Both Nb–Si bond lengths are 2.78 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Nb, three equivalent Ni, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.62 Å. All Ni–Si bond lengths are 2.43 Å. Si is bonded to six equivalent Nb and six equivalent Ni atoms to form face-sharing SiNb6Ni6 cuboctahedra.
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