Mg(CrS2)4 crystallizes in the trigonal R3m space group. Mg(1) is bonded to one S(4) and three equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. In the second Cr site, Cr(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Mg(1)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 T-shaped geometry to three equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SMgCr3 tetrahedra. In the fourth S site, S(4) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SMgCr3 tetrahedra.
Mg(CrS2)4 crystallizes in the trigonal R3m space group. Mg(1) is bonded to one S(4) and three equivalent S(3) atoms to form MgS4 tetrahedra that share corners with three equivalent Cr(2)S6 octahedra and corners with nine equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 61-64°. The Mg(1)-S(4) bond length is 2.41 Å. All Mg(1)-S(3) bond lengths are 2.39 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(1) is bonded to one S(1), one S(4), two equivalent S(2), and two equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(2)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. The Cr(1)-S(1) bond length is 2.34 Å. The Cr(1)-S(4) bond length is 2.46 Å. Both Cr(1)-S(2) bond lengths are 2.35 Å. Both Cr(1)-S(3) bond lengths are 2.44 Å. In the second Cr site, Cr(2) is bonded to three equivalent S(2) and three equivalent S(3) atoms to form CrS6 octahedra that share corners with three equivalent Mg(1)S4 tetrahedra and edges with six equivalent Cr(1)S6 octahedra. All Cr(2)-S(2) bond lengths are 2.37 Å. All Cr(2)-S(3) bond lengths are 2.43 Å. There are four inequivalent S sites. In the first S site, S(1) is bonded in a distorted T-shaped geometry to three equivalent Cr(1) atoms. In the second S site, S(2) is bonded in a distorted T-shaped geometry to one Cr(2) and two equivalent Cr(1) atoms. In the third S site, S(3) is bonded to one Mg(1), one Cr(2), and two equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SMgCr3 tetrahedra. In the fourth S site, S(4) is bonded to one Mg(1) and three equivalent Cr(1) atoms to form a mixture of corner and edge-sharing SMgCr3 tetrahedra.