LiCr4InS8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one S(4) and three equivalent S(3) atoms to form LiS4 tetrahedra that share corners with three equivalent In(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Cr(2)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. In the second Cr site, Cr(2) is bonded to one S(2) and three equivalent S(1) atoms to form CrS4 tetrahedra that share corners with three equivalent In(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. In(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form InS6 octahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Cr(2)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one In(1) atom. In the second S site, S(2) is bonded in a distorted trigonal pyramidal geometry to one Cr(2) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one In(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent Cr(1) atoms.
LiCr4InS8 is Spinel-derived structured and crystallizes in the trigonal R3m space group. Li(1) is bonded to one S(4) and three equivalent S(3) atoms to form LiS4 tetrahedra that share corners with three equivalent In(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 53-64°. The Li(1)-S(4) bond length is 2.49 Å. All Li(1)-S(3) bond lengths are 2.35 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(2), one S(4), two equivalent S(1), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Cr(2)S4 tetrahedra, edges with two equivalent In(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The Cr(1)-S(2) bond length is 2.50 Å. The Cr(1)-S(4) bond length is 2.38 Å. Both Cr(1)-S(1) bond lengths are 2.47 Å. Both Cr(1)-S(3) bond lengths are 2.37 Å. In the second Cr site, Cr(2) is bonded to one S(2) and three equivalent S(1) atoms to form CrS4 tetrahedra that share corners with three equivalent In(1)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 55-66°. The Cr(2)-S(2) bond length is 2.39 Å. All Cr(2)-S(1) bond lengths are 2.33 Å. In(1) is bonded to three equivalent S(1) and three equivalent S(3) atoms to form InS6 octahedra that share corners with three equivalent Li(1)S4 tetrahedra, corners with three equivalent Cr(2)S4 tetrahedra, and edges with six equivalent Cr(1)S6 octahedra. All In(1)-S(1) bond lengths are 2.66 Å. All In(1)-S(3) bond lengths are 2.57 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted rectangular see-saw-like geometry to one Cr(2), two equivalent Cr(1), and one In(1) atom. In the second S site, S(2) is bonded in a distorted trigonal pyramidal geometry to one Cr(2) and three equivalent Cr(1) atoms. In the third S site, S(3) is bonded in a rectangular see-saw-like geometry to one Li(1), two equivalent Cr(1), and one In(1) atom. In the fourth S site, S(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(1) and three equivalent Cr(1) atoms.