Materials Data on Co4NiSb12 by Materials Project
Co4NiSb12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Co2+ is bonded to six equivalent Sb+0.83- atoms to form CoSb6 octahedra that share corners with six equivalent CoSb6 octahedra and faces with two equivalent NiSb12 cuboctahedra. The corner-sharing octahedral tilt angles are 50°. All Co–Sb bond lengths are 2.51 Å. Ni2+ is bonded to twelve equivalent Sb+0.83- atoms to form NiSb12 cuboctahedra that share faces with eight equivalent CoSb6 octahedra. All Ni–Sb bond lengths are 3.27 Å. Sb+0.83- is bonded in a 2-coordinate geometry to two equivalent Co2+ and one Ni2+ atom.
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