Sr4Mn2Cu3(SeO)4 crystallizes in the orthorhombic C222 space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent Se(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 Se(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 Se(1) atoms to form edge-sharing CuSe4 tetrahedra. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. Se(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 edge, face, and corner-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 edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°.
Sr4Mn2Cu3(SeO)4 crystallizes in the orthorhombic C222 space group. Sr(1) is bonded in a 4-coordinate geometry to four equivalent Se(1), two equivalent O(1), and two equivalent O(2) atoms. All Sr(1)-Se(1) bond lengths are 3.20 Å. There is one shorter (2.66 Å) and one longer (2.68 Å) Sr(1)-O(1) bond length. Both Sr(1)-O(2) bond lengths are 2.67 Å. Mn(1) is bonded in a rectangular see-saw-like geometry to two equivalent Se(1), two equivalent O(1), and two equivalent O(2) atoms. Both Mn(1)-Se(1) bond lengths are 3.05 Å. Both Mn(1)-O(1) bond lengths are 2.05 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 Se(1) atoms to form edge-sharing CuSe4 tetrahedra. All Cu(1)-Se(1) bond lengths are 2.52 Å. In the second Cu site, Cu(2) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu(2)-Se(1) bond lengths are 2.51 Å. In the third Cu site, Cu(3) is bonded to four equivalent Se(1) atoms to form a mixture of edge and corner-sharing CuSe4 tetrahedra. All Cu(3)-Se(1) bond lengths are 2.51 Å. Se(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 edge, face, and corner-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 edge, face, and corner-sharing OSr4Mn2 octahedra. The corner-sharing octahedral tilt angles are 1°.