LiSr4Mn2Cu3(SO)4 crystallizes in the orthorhombic C222 space group. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. 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 CuS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(3)S4 tetrahedra, edges with two equivalent Li(1)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, edges with two equivalent Li(1)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. S(1) is bonded in a 9-coordinate geometry to one Li(1), 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°.
LiSr4Mn2Cu3(SO)4 crystallizes in the orthorhombic C222 space group. Li(1) is bonded to four equivalent S(1) atoms to form distorted LiS4 tetrahedra that share corners with four equivalent Cu(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. All Li(1)-S(1) bond lengths are 2.46 Å. 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 (3.23 Å) and two longer (3.27 Å) Sr(1)-S(1) bond lengths. There is one shorter (2.62 Å) and one longer (2.64 Å) Sr(1)-O(1) bond length. There is one shorter (2.64 Å) and one longer (2.65 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 3.09 Å. Both Mn(1)-O(1) bond lengths are 2.06 Å. Both Mn(1)-O(2) bond lengths are 2.06 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to four equivalent S(1) atoms to form CuS4 tetrahedra that share corners with four equivalent Li(1)S4 tetrahedra, edges with two equivalent Cu(2)S4 tetrahedra, and edges with two equivalent Cu(3)S4 tetrahedra. All Cu(1)-S(1) bond lengths are 2.44 Å. In the second Cu site, Cu(2) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(3)S4 tetrahedra, edges with two equivalent Li(1)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. All Cu(2)-S(1) bond lengths are 2.45 Å. In the third Cu site, Cu(3) is bonded to four equivalent S(1) atoms to form distorted CuS4 tetrahedra that share corners with four equivalent Cu(2)S4 tetrahedra, edges with two equivalent Li(1)S4 tetrahedra, and edges with two equivalent Cu(1)S4 tetrahedra. All Cu(3)-S(1) bond lengths are 2.46 Å. S(1) is bonded in a 9-coordinate geometry to one Li(1), 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°.