MgCrS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing CrS6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Cr(1) atoms to form a mixture of distorted face, corner, and edge-sharing SMg3Cr3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-46°. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing SMg3Cr3 octahedra.
MgCrS2 is Caswellsilverite-like structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded in a 6-coordinate geometry to three equivalent S(1) and three equivalent S(2) atoms. All Mg(1)-S(1) bond lengths are 2.67 Å. All Mg(1)-S(2) bond lengths are 2.65 Å. Cr(1) is bonded to three equivalent S(1) and three equivalent S(2) atoms to form edge-sharing CrS6 octahedra. All Cr(1)-S(1) bond lengths are 2.54 Å. All Cr(1)-S(2) bond lengths are 2.53 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to three equivalent Mg(1) and three equivalent Cr(1) atoms to form a mixture of distorted face, corner, and edge-sharing SMg3Cr3 pentagonal pyramids. The corner-sharing octahedral tilt angles range from 0-46°. In the second S site, S(2) is bonded to three equivalent Mg(1) and three equivalent Cr(1) atoms to form a mixture of face, corner, and edge-sharing SMg3Cr3 octahedra.