Mn2Cu10Sb4S13 crystallizes in the tetragonal I-42m space group. Mn(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. Sb(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mn(1) and four equivalent Cu(3) atoms to form SMn2Cu4 octahedra that share corners with four equivalent S(2)MnCu2Sb tetrahedra and corners with eight equivalent S(3)Cu3Sb tetrahedra. In the second S site, S(2) is bonded to one Mn(1), two equivalent Cu(1), and one Sb(1) atom to form SMnCu2Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form SCu3Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°.
Mn2Cu10Sb4S13 crystallizes in the tetragonal I-42m space group. Mn(1) is bonded in a 3-coordinate geometry to one S(1) and two equivalent S(2) atoms. The Mn(1)-S(1) bond length is 2.37 Å. Both Mn(1)-S(2) bond lengths are 2.34 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to two equivalent S(2) and two equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. Both Cu(1)-S(2) bond lengths are 2.31 Å. Both Cu(1)-S(3) bond lengths are 2.33 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(3) atoms to form corner-sharing CuS4 tetrahedra. All Cu(2)-S(3) bond lengths are 2.32 Å. In the third Cu site, Cu(3) is bonded in a distorted trigonal planar geometry to one S(1) and two equivalent S(3) atoms. The Cu(3)-S(1) bond length is 2.30 Å. Both Cu(3)-S(3) bond lengths are 2.25 Å. Sb(1) is bonded in a 3-coordinate geometry to one S(2) and two equivalent S(3) atoms. The Sb(1)-S(2) bond length is 2.50 Å. Both Sb(1)-S(3) bond lengths are 2.46 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded to two equivalent Mn(1) and four equivalent Cu(3) atoms to form SMn2Cu4 octahedra that share corners with four equivalent S(2)MnCu2Sb tetrahedra and corners with eight equivalent S(3)Cu3Sb tetrahedra. In the second S site, S(2) is bonded to one Mn(1), two equivalent Cu(1), and one Sb(1) atom to form SMnCu2Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 48°. In the third S site, S(3) is bonded to one Cu(1), one Cu(2), one Cu(3), and one Sb(1) atom to form SCu3Sb tetrahedra that share  a cornercorner with one S(1)Mn2Cu4 octahedra, corners with three equivalent S(2)MnCu2Sb tetrahedra, and corners with six equivalent S(3)Cu3Sb tetrahedra. The corner-sharing octahedral tilt angles are 49°.