LiNi2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) and six equivalent Si(1) atoms. Ni(1) is bonded to four equivalent Li(1) and four equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing NiLi4Si4 tetrahedra. Si(1) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Ni(1) atoms.
LiNi2Si is Heusler structured and crystallizes in the cubic Fm-3m space group. Li(1) is bonded in a distorted body-centered cubic geometry to eight equivalent Ni(1) and six equivalent Si(1) atoms. All Li(1)-Ni(1) bond lengths are 2.37 Å. All Li(1)-Si(1) bond lengths are 2.74 Å. Ni(1) is bonded to four equivalent Li(1) and four equivalent Si(1) atoms to form a mixture of distorted edge, face, and corner-sharing NiLi4Si4 tetrahedra. All Ni(1)-Si(1) bond lengths are 2.37 Å. Si(1) is bonded in a 14-coordinate geometry to six equivalent Li(1) and eight equivalent Ni(1) atoms.