MgMoMnS4 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 Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. 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 Mn(1)S6 octahedra. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(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 Mn(1) atoms to form distorted SMgMn2Mo trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Mo trigonal pyramid, and edges with two equivalent S(2)MgMnMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Mn(1) atom to form distorted SMgMnMo2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(2)MgMnMo2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Mo trigonal pyramids.
MgMoMnS4 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 Mn(1)S6 octahedra. The corner-sharing octahedral tilt angles range from 58-60°. Both Mg(1)-S(1) bond lengths are 2.47 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 Mn(1)S6 octahedra. Both Mo(1)-S(1) bond lengths are 2.49 Å. All Mo(1)-S(2) bond lengths are 2.50 Å. Mn(1) is bonded to two equivalent S(2) and four equivalent S(1) atoms to form MnS6 octahedra that share corners with six equivalent Mg(1)S4 tetrahedra, edges with two equivalent Mn(1)S6 octahedra, and edges with four equivalent Mo(1)S6 octahedra. Both Mn(1)-S(2) bond lengths are 2.55 Å. All Mn(1)-S(1) bond lengths are 2.49 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 Mn(1) atoms to form distorted SMgMn2Mo trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(1)MgMn2Mo trigonal pyramid, and edges with two equivalent S(2)MgMnMo2 trigonal pyramids. In the second S site, S(2) is bonded to one Mg(1), two equivalent Mo(1), and one Mn(1) atom to form distorted SMgMnMo2 trigonal pyramids that share corners with six equivalent S(1)MgMn2Mo trigonal pyramids, corners with six equivalent S(2)MgMnMo2 trigonal pyramids,  an edgeedge with one S(2)MgMnMo2 trigonal pyramid, and edges with two equivalent S(1)MgMn2Mo trigonal pyramids.