Sr4MgFe2Cu2(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(2), and two equivalent O(3) atoms. In the second Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. In the third Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. Fe(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing FeO5 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 in a 2-coordinate geometry to two equivalent Mg(1) and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 6°.
Sr4MgFe2Cu2(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(2), and two equivalent O(3) atoms. All Sr(1)-S(1) bond lengths are 3.19 Å. Both Sr(1)-O(2) bond lengths are 2.60 Å. Both Sr(1)-O(3) bond lengths are 2.65 Å. In the second Sr site, Sr(1) is bonded in a 4-coordinate geometry to four equivalent S(1), two equivalent O(2), and two equivalent O(3) atoms. All Sr(1)-S(1) bond lengths are 3.19 Å. Both Sr(1)-O(2) bond lengths are 2.60 Å. Both Sr(1)-O(3) bond lengths are 2.65 Å. In the third Sr site, Sr(2) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Sr(2)-O(2) bond lengths are 2.57 Å. Both Sr(2)-O(3) bond lengths are 2.52 Å. Mg(1) is bonded in a 4-coordinate geometry to four equivalent O(1) atoms. All Mg(1)-O(1) bond lengths are 2.18 Å. Fe(1) is bonded to one O(1), two equivalent O(2), and two equivalent O(3) atoms to form distorted corner-sharing FeO5 square pyramids. The Fe(1)-O(1) bond length is 2.67 Å. Both Fe(1)-O(2) bond lengths are 2.02 Å. Both Fe(1)-O(3) bond lengths are 2.01 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 2.43 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 in a 2-coordinate geometry to two equivalent Mg(1) and one Fe(1) atom. In the second O site, O(2) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form a mixture of distorted corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 11°. In the third O site, O(3) is bonded to two equivalent Sr(1), two equivalent Sr(2), and two equivalent Fe(1) atoms to form a mixture of corner, face, and edge-sharing OSr4Fe2 octahedra. The corner-sharing octahedral tilt angles are 6°.