Materials Data on Mn2Co2O5 by Materials Project
Mn2Co2O5 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. there are two inequivalent Mn2+ sites. In the first Mn2+ site, Mn2+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Mn–O bond lengths are 2.27 Å. In the second Mn2+ site, Mn2+ is bonded in a distorted square co-planar geometry to four equivalent O2- atoms. All Mn–O bond lengths are 2.58 Å. Co3+ is bonded to five O2- atoms to form corner-sharing CoO5 square pyramids. There is four shorter (1.86 Å) and one longer (1.90 Å) Co–O bond length. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Mn2+ and two equivalent Co3+ atoms. In the second O2- site, O2- is bonded to four equivalent Mn2+ and two equivalent Co3+ atoms to form a mixture of distorted edge and corner-sharing OMn4Co2 octahedra. The corner-sharing octahedral tilt angles are 0°.