LiCr4InS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent S(1) atoms to form LiS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. In(1) is bonded to four equivalent S(2) atoms to form InS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Li(1) and three equivalent Cr(1) atoms to form distorted SLiCr3 trigonal pyramids that share corners with nine equivalent S(2)Cr3In tetrahedra, corners with three equivalent S(1)LiCr3 trigonal pyramids, and edges with three equivalent S(1)LiCr3 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(1) and one In(1) atom to form SCr3In tetrahedra that share corners with three equivalent S(2)Cr3In tetrahedra, corners with nine equivalent S(1)LiCr3 trigonal pyramids, and edges with three equivalent S(2)Cr3In tetrahedra.
LiCr4InS8 is Spinel-derived structured and crystallizes in the cubic F-43m space group. Li(1) is bonded to four equivalent S(1) atoms to form LiS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Li(1)-S(1) bond lengths are 2.44 Å. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form CrS6 octahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent In(1)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. All Cr(1)-S(1) bond lengths are 2.38 Å. All Cr(1)-S(2) bond lengths are 2.46 Å. In(1) is bonded to four equivalent S(2) atoms to form InS4 tetrahedra that share corners with twelve equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles are 61°. All In(1)-S(2) bond lengths are 2.49 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Li(1) and three equivalent Cr(1) atoms to form distorted SLiCr3 trigonal pyramids that share corners with nine equivalent S(2)Cr3In tetrahedra, corners with three equivalent S(1)LiCr3 trigonal pyramids, and edges with three equivalent S(1)LiCr3 trigonal pyramids. In the second S site, S(2) is bonded to three equivalent Cr(1) and one In(1) atom to form SCr3In tetrahedra that share corners with three equivalent S(2)Cr3In tetrahedra, corners with nine equivalent S(1)LiCr3 trigonal pyramids, and edges with three equivalent S(2)Cr3In tetrahedra.