Materials Data on LiNi2Sb by Materials Project
LiNi2Sb is Heusler structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Li1+ is bonded to six equivalent Sb3- atoms to form distorted LiSb6 octahedra that share corners with six equivalent LiSb6 octahedra, corners with twenty-four equivalent NiSb4 tetrahedra, edges with twelve equivalent LiSb6 octahedra, and faces with eight equivalent NiSb4 tetrahedra. The corner-sharing octahedral tilt angles are 0°. All Li–Sb bond lengths are 2.99 Å. Ni1+ is bonded to four equivalent Sb3- atoms to form NiSb4 tetrahedra that share corners with twelve equivalent LiSb6 octahedra, corners with sixteen equivalent NiSb4 tetrahedra, edges with six equivalent NiSb4 tetrahedra, and faces with four equivalent LiSb6 octahedra. The corner-sharing octahedral tilt angles are 55°. All Ni–Sb bond lengths are 2.59 Å. Sb3- is bonded in a 8-coordinate geometry to six equivalent Li1+ and eight equivalent Ni1+ atoms.