Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CoO5 square pyramids. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to four equivalent Mn(2) and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMn4Co2 octahedra. The corner-sharing octahedra are not tilted.
Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a body-centered cubic geometry to eight equivalent O(1) atoms. All Mn(1)-O(1) bond lengths are 2.27 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Mn(2)-O(2) bond lengths are 2.58 Å. Co(1) is bonded to one O(2) and four equivalent O(1) atoms to form corner-sharing CoO5 square pyramids. The Co(1)-O(2) bond length is 1.90 Å. All Co(1)-O(1) bond lengths are 1.86 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Mn(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded to four equivalent Mn(2) and two equivalent Co(1) atoms to form a mixture of corner and edge-sharing OMn4Co2 octahedra. The corner-sharing octahedra are not tilted.