Materials Data on Nd2CoRuO6 by Materials Project

Nd2RuCoO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Nd3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.36–2.77 Å. Ru4+ is bonded to six O2- atoms to form RuO6 octahedra that share corners with six equivalent CoO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are a spread of Ru–O bond distances ranging from 2.01–2.05 Å. Co2+ is bonded to six O2- atoms to form CoO6 octahedra that share corners with six equivalent RuO6 octahedra. The corner-sharing octahedra tilt angles range from 32–34°. There are two shorter (2.06 Å) and four longer (2.11 Å) Co–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 Nd3+, one Ru4+, and one Co2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Nd3+, one Ru4+, and one Co2+ atom. In the third O2- site, O2- is bonded to two equivalent Nd3+, one Ru4+, and one Co2+ atom to form distorted corner-sharing ONd2CoRu tetrahedra.