MgMoCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Mo(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Mo(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mo(1), and two equivalent Cr(1) atoms to form distorted SMgCr2Mo trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(1)MgCr2Mo trigonal pyramid, and edges with two equivalent S(2)MgCrMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Cr(1) atom to form distorted SMgCrMo2 trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(2)MgCrMo2 trigonal pyramid, and edges with two equivalent S(1)MgCr2Mo trigonal pyramids.
MgMoCrS4 is Spinel-derived structured and crystallizes in the orthorhombic Imma space group. Mg(1) is bonded to two equivalent S(1) and two equivalent S(2) atoms to form MgS4 tetrahedra that share corners with six equivalent Mo(1)S6 octahedra and corners with six equivalent Cr(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 57-61°. Both Mg(1)-S(1) bond lengths are 2.48 Å. Both Mg(1)-S(2) bond lengths are 2.45 Å. Mo(1) is bonded to two equivalent S(1) and four equivalent S(2) atoms to form MoS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mo(1)S6 octahedra, and edges with four equivalent Cr(1)S6 octahedra. Both Mo(1)-S(1) bond lengths are 2.51 Å. All Mo(1)-S(2) bond lengths are 2.50 Å. Cr(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form CrS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Cr(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. Both Cr(1)-S(2) bond lengths are 2.44 Å. All Cr(1)-S(1) bond lengths are 2.45 Å. There are two inequivalent S sites. In the first S site, S(1) is bonded to one Mg(1), one Mo(1), and two equivalent Cr(1) atoms to form distorted SMgCr2Mo trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(1)MgCr2Mo trigonal pyramid, and edges with two equivalent S(2)MgCrMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Cr(1) atom to form distorted SMgCrMo2 trigonal pyramids that share corners with six equivalent S(1)MgCr2Mo trigonal pyramids, corners with six equivalent S(2)MgCrMo2 trigonal pyramids,  an edgeedge with one S(2)MgCrMo2 trigonal pyramid, and edges with two equivalent S(1)MgCr2Mo trigonal pyramids.