Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), 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 Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four 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(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Fe(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 Fe(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Co(1) atoms.
Sr2FeCoO6 is (Cubic) Perovskite-derived structured and crystallizes in the tetragonal P4/mmm space group. Sr(1) is bonded to two equivalent O(2), two equivalent O(3), 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 Fe(1)O6 octahedra, and faces with four equivalent Co(1)O6 octahedra. Both Sr(1)-O(2) bond lengths are 2.74 Å. Both Sr(1)-O(3) bond lengths are 2.74 Å. All Sr(1)-O(1) bond lengths are 2.73 Å. Fe(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form FeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Co(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Fe(1)-O(2) bond lengths are 1.92 Å. All Fe(1)-O(1) bond lengths are 1.95 Å. Co(1) is bonded to two equivalent O(3) and four equivalent O(1) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent Fe(1)O6 octahedra, and faces with eight equivalent Sr(1)O12 cuboctahedra. The corner-sharing octahedra are not tilted. Both Co(1)-O(3) bond lengths are 1.92 Å. All Co(1)-O(1) bond lengths are 1.93 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Sr(1), one Fe(1), and one Co(1) atom to form a mixture of distorted corner, edge, and face-sharing OSr4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-61°. In the second O site, O(2) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Fe(1) atoms. In the third O site, O(3) is bonded in a distorted linear geometry to four equivalent Sr(1) and two equivalent Co(1) atoms.