SrCaTiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(1) atoms. Ca(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Ti(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom.
SrCaTiMnO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1 space group. Sr(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(1) atoms. There is one shorter (2.54 Å) and one longer (2.68 Å) Sr(1)-O(3) bond length. There is one shorter (2.80 Å) and one longer (3.08 Å) Sr(1)-O(4) bond length. There is one shorter (2.82 Å) and one longer (3.07 Å) Sr(1)-O(5) bond length. There is one shorter (2.53 Å) and one longer (2.68 Å) Sr(1)-O(6) bond length. There are a spread of Sr(1)-O(1) bond distances ranging from 2.51-2.96 Å. Ca(1) is bonded in a 12-coordinate geometry to two equivalent O(3), two equivalent O(4), two equivalent O(5), two equivalent O(6), and four equivalent O(2) atoms. There is one shorter (2.71 Å) and one longer (3.00 Å) Ca(1)-O(3) bond length. There is one shorter (2.47 Å) and one longer (2.60 Å) Ca(1)-O(4) bond length. There is one shorter (2.48 Å) and one longer (2.59 Å) Ca(1)-O(5) bond length. There is one shorter (2.70 Å) and one longer (3.00 Å) Ca(1)-O(6) bond length. There are a spread of Ca(1)-O(2) bond distances ranging from 2.41-3.07 Å. Ti(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form TiO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. The Ti(1)-O(1) bond length is 2.00 Å. The Ti(1)-O(2) bond length is 1.94 Å. The Ti(1)-O(3) bond length is 1.96 Å. The Ti(1)-O(4) bond length is 1.98 Å. The Ti(1)-O(5) bond length is 1.98 Å. The Ti(1)-O(6) bond length is 1.96 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 14-20°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(2) bond length is 1.91 Å. The Mn(1)-O(3) bond length is 1.92 Å. The Mn(1)-O(4) bond length is 1.93 Å. The Mn(1)-O(5) bond length is 1.94 Å. The Mn(1)-O(6) bond length is 1.92 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a 6-coordinate geometry to four equivalent Sr(1), one Ti(1), and one Mn(1) atom. In the second O site, O(2) is bonded in a 2-coordinate geometry to four equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the third O site, O(3) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the fourth O site, O(4) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the fifth O site, O(5) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom. In the sixth O site, O(6) is bonded in a 2-coordinate geometry to two equivalent Sr(1), two equivalent Ca(1), one Ti(1), and one Mn(1) atom.