Sr2TiMnO5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and corners with two equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 9°. Mn(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Mn(1) atoms to form OSr2Mn2 tetrahedra that share corners with eight equivalent O(2)Sr4Ti2 octahedra and corners with two equivalent O(1)Sr2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 22-75°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ti(1) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(2)Sr4Ti2 octahedra, corners with four equivalent O(1)Sr2Mn2 tetrahedra, edges with two equivalent O(2)Sr4Ti2 octahedra, and faces with four equivalent O(2)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Ti(1), and one Mn(1) atom.
Sr2TiMnO5 crystallizes in the orthorhombic Ima2 space group. Sr(1) is bonded in a 9-coordinate geometry to one O(1), four equivalent O(2), and four equivalent O(3) atoms. The Sr(1)-O(1) bond length is 2.38 Å. There are a spread of Sr(1)-O(2) bond distances ranging from 2.61-2.78 Å. There are a spread of Sr(1)-O(3) bond distances ranging from 2.55-3.17 Å. Ti(1) is bonded to two equivalent O(3) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with four equivalent Ti(1)O6 octahedra and corners with two equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 9°. Both Ti(1)-O(3) bond lengths are 2.00 Å. There are two shorter (1.91 Å) and two longer (2.10 Å) Ti(1)-O(2) bond lengths. Mn(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form MnO4 tetrahedra that share corners with two equivalent Ti(1)O6 octahedra and corners with two equivalent Mn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles are 26°. There is one shorter (2.05 Å) and one longer (2.06 Å) Mn(1)-O(1) bond length. Both Mn(1)-O(3) bond lengths are 2.12 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Sr(1) and two equivalent Mn(1) atoms to form OSr2Mn2 tetrahedra that share corners with eight equivalent O(2)Sr4Ti2 octahedra and corners with two equivalent O(1)Sr2Mn2 tetrahedra. The corner-sharing octahedral tilt angles range from 22-75°. In the second O site, O(2) is bonded to four equivalent Sr(1) and two equivalent Ti(1) atoms to form distorted OSr4Ti2 octahedra that share corners with two equivalent O(2)Sr4Ti2 octahedra, corners with four equivalent O(1)Sr2Mn2 tetrahedra, edges with two equivalent O(2)Sr4Ti2 octahedra, and faces with four equivalent O(2)Sr4Ti2 octahedra. The corner-sharing octahedral tilt angles are 3°. In the third O site, O(3) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Ti(1), and one Mn(1) atom.