Sr2RuTiO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Ru(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Ti(1), and one Ru(1) atom to form distorted OSr4TiRu octahedra that share corners with six equivalent O(1)Sr4TiRu octahedra, corners with eight equivalent O(3)Sr4Ru2 octahedra, edges with four equivalent O(1)Sr4TiRu octahedra, and faces with four equivalent O(3)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(3)Sr4Ru2 octahedra, corners with eight equivalent O(1)Sr4TiRu octahedra, edges with two equivalent O(3)Sr4Ru2 octahedra, faces with four equivalent O(3)Sr4Ru2 octahedra, and faces with four equivalent O(1)Sr4TiRu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.
Sr2RuTiO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to four equivalent O(1), four equivalent O(2), and four equivalent O(3) atoms to form SrO12 cuboctahedra that share corners with twelve equivalent Sr(1)O12 cuboctahedra, faces with six equivalent Sr(1)O12 cuboctahedra, faces with four equivalent Ti(1)O6 octahedra, and faces with four equivalent Ru(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.79 Å. All Sr(1)-O(2) bond lengths are 2.79 Å. All Sr(1)-O(3) bond lengths are 2.82 Å. Ti(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form TiO6 octahedra that share corners with two equivalent Ru(1)O6 octahedra, corners with four equivalent Ti(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ti(1)-O(1) bond lengths are 1.96 Å. All Ti(1)-O(2) bond lengths are 1.97 Å. Ru(1) is bonded to two equivalent O(1) and four equivalent O(3) atoms to form RuO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra, corners with four equivalent Ru(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Ru(1)-O(1) bond lengths are 2.02 Å. All Ru(1)-O(3) bond lengths are 1.97 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Ti(1), and one Ru(1) atom to form distorted OSr4TiRu octahedra that share corners with six equivalent O(1)Sr4TiRu octahedra, corners with eight equivalent O(3)Sr4Ru2 octahedra, edges with four equivalent O(1)Sr4TiRu octahedra, and faces with four equivalent O(3)Sr4Ru2 octahedra. The corner-sharing octahedral tilt angles range from 0-60°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Ti(1) atoms. In the third O site, O(3) is bonded to four equivalent Sr(1) and two equivalent Ru(1) atoms to form distorted OSr4Ru2 octahedra that share corners with two equivalent O(3)Sr4Ru2 octahedra, corners with eight equivalent O(1)Sr4TiRu octahedra, edges with two equivalent O(3)Sr4Ru2 octahedra, faces with four equivalent O(3)Sr4Ru2 octahedra, and faces with four equivalent O(1)Sr4TiRu octahedra. The corner-sharing octahedral tilt angles range from 0-60°.