Sr2TiMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) 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 Mo(1)O6 octahedra. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. There are two 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 Mo(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Mo(1) atom.
Sr2TiMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/m space group. Sr(1) is bonded to four equivalent O(2) and eight equivalent O(1) 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 Mo(1)O6 octahedra. All Sr(1)-O(2) bond lengths are 2.84 Å. There are four shorter (2.71 Å) and four longer (2.96 Å) Sr(1)-O(1) bond lengths. Ti(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form TiO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. Both Ti(1)-O(2) bond lengths are 1.97 Å. All Ti(1)-O(1) bond lengths are 1.95 Å. Mo(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MoO6 octahedra that share corners with six equivalent Ti(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedral tilt angles range from 0-10°. Both Mo(1)-O(2) bond lengths are 2.01 Å. All Mo(1)-O(1) bond lengths are 2.07 Å. There are two 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 Mo(1) atom. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Ti(1), and one Mo(1) atom.