Materials Data on Sr2MnRuO6 by Materials Project

Sr2MnRuO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.63 Å) and four longer (2.75 Å) Sr–O bond lengths. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There are four shorter (1.96 Å) and two longer (2.23 Å) Mn–O bond lengths. Ru6+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–21°. There is two shorter (1.96 Å) and four longer (1.99 Å) Ru–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 Sr2+, one Mn2+, and one Ru6+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one Mn2+, and one Ru6+ atom to form a mixture of distorted edge and corner-sharing OSr4MnRu octahedra. The corner-sharing octahedra tilt angles range from 0–6°.