Sr4MgMn2Cu2(SO3)2 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. In the second Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. In the third Sr site, Sr(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent O(1), two equivalent O(2), and five equivalent O(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sr(2) and four equivalent O(3) atoms. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing MnO5 square pyramids. Cu(1,2) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1,2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 8-coordinate geometry to five equivalent Sr(2), two equivalent Mg(1), and one Mn(1) atom.
Sr4MgMn2Cu2(SO3)2 crystallizes in the tetragonal P-4m2 space group. There are three inequivalent Sr sites. In the first Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. All Sr(1)-S(1) bond lengths are 3.22 Å. Both Sr(1)-O(1) bond lengths are 2.59 Å. Both Sr(1)-O(2) bond lengths are 2.74 Å. In the second Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(1), and two equivalent O(2) atoms. All Sr(1)-S(1) bond lengths are 3.22 Å. Both Sr(1)-O(1) bond lengths are 2.59 Å. Both Sr(1)-O(2) bond lengths are 2.74 Å. In the third Sr site, Sr(2) is bonded in a 11-coordinate geometry to two equivalent Mg(1), two equivalent O(1), two equivalent O(2), and five equivalent O(3) atoms. Both Sr(2)-Mg(1) bond lengths are 2.87 Å. Both Sr(2)-O(1) bond lengths are 2.62 Å. Both Sr(2)-O(2) bond lengths are 2.48 Å. There is one shorter (2.81 Å) and four longer (3.14 Å) Sr(2)-O(3) bond lengths. Mg(1) is bonded in a 4-coordinate geometry to four equivalent Sr(2) and four equivalent O(3) atoms. All Mg(1)-O(3) bond lengths are 2.18 Å. Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted corner-sharing MnO5 square pyramids. The Mn(1)-O(3) bond length is 2.56 Å. Both Mn(1)-O(1) bond lengths are 2.06 Å. Both Mn(1)-O(2) bond lengths are 2.04 Å. Cu(1,2) is bonded to four equivalent S(1) atoms to form a mixture of corner and edge-sharing CuS4 tetrahedra. All Cu(1,2)-S(1) bond lengths are 2.45 Å. S(1) is bonded in a 8-coordinate geometry to four equivalent Sr(1) and four equivalent Cu(1,2) atoms. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 18°. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Mn(1) atoms to form a mixture of distorted face, corner, and edge-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 5°. In the third O site, O(3) is bonded in a 8-coordinate geometry to five equivalent Sr(2), two equivalent Mg(1), and one Mn(1) atom.