Materials Data on Y2MnNiO6 by Materials Project
Y2NiMnO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Y3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Y–O bond distances ranging from 2.25–2.69 Å. Mn2+ is bonded to six O2- atoms to form MnO6 octahedra that share corners with six equivalent NiO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are a spread of Mn–O bond distances ranging from 1.93–1.96 Å. Ni4+ is bonded to six O2- atoms to form NiO6 octahedra that share corners with six equivalent MnO6 octahedra. The corner-sharing octahedra tilt angles range from 34–36°. There are two shorter (2.05 Å) and four longer (2.08 Å) Ni–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Mn2+, and one Ni4+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Y3+, one Mn2+, and one Ni4+ atom. In the third O2- site, O2- is bonded to two equivalent Y3+, one Mn2+, and one Ni4+ atom to form distorted corner-sharing OY2MnNi trigonal pyramids.