Sr2CoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Mo(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mo(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Mo(1), and one Co(1) atom.
Sr2CoMoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal I4/mmm space group. Sr(1) is bonded to four equivalent O(1) and eight equivalent O(2) 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 Mo(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. All Sr(1)-O(1) bond lengths are 2.74 Å. All Sr(1)-O(2) bond lengths are 2.84 Å. Mo(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MoO6 octahedra that share corners with six equivalent Co(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Mo(1)-O(1) bond lengths are 1.95 Å. All Mo(1)-O(2) bond lengths are 1.94 Å. Co(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Mo(1)O6 octahedra and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Co(1)-O(1) bond lengths are 2.21 Å. All Co(1)-O(2) bond lengths are 1.94 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Mo(1), and one Co(1) atom to form a mixture of distorted corner and edge-sharing OSr4CoMo octahedra. The corner-sharing octahedral tilt angles range from 0-5°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1), one Mo(1), and one Co(1) atom.