Sr4Mn2Cu3(SO)4 crystallizes in the orthorhombic C222 space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Mn(1) is bonded in a rectangular see-saw-like geometry to two equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form edge-sharing CuS4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), one Mn(1), one Cu(1), one Cu(2), and one Cu(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°.
Sr4Mn2Cu3(SO)4 crystallizes in the orthorhombic C222 space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. There are two shorter (3.11 Å) and two longer (3.13 Å) Sr(1)-S(1) bond lengths. There is one shorter (2.65 Å) and one longer (2.69 Å) Sr(1)-O(1) bond length. There is one shorter (2.65 Å) and one longer (2.66 Å) Sr(1)-O(2) bond length. Mn(1) is bonded in a rectangular see-saw-like geometry to two equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. Both Mn(1)-S(1) bond lengths are 2.97 Å. Both Mn(1)-O(1) bond lengths are 2.02 Å. Both Mn(1)-O(2) bond lengths are 2.03 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form edge-sharing CuS4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.40 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. All Cu(2)-S(1) bond lengths are 2.43 Å. In the third Cu site, Cu(3) is bonded to four equivalent S(1) atoms to form a mixture of distorted corner and edge-sharing CuS4 tetrahedra. All Cu(3)-S(1) bond lengths are 2.43 Å. S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1), one Mn(1), one Cu(1), one Cu(2), and one Cu(3) atom. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Mn(1) atoms to form a mixture of face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°.