Materials Data on MnCoN2 by Materials Project

Abstract

MnCoN2 is Lavarevi\'{c}ite-like structured and crystallizes in the monoclinic Cm space group. The structure is three-dimensional. Mn2+ is bonded to four N3- atoms to form MnN4 tetrahedra that share corners with six equivalent MnN4 tetrahedra and corners with six equivalent CoN4 tetrahedra. There is one shorter (1.76 Å) and three longer (1.85 Å) Mn–N bond length. Co4+ is bonded to four N3- atoms to form CoN4 tetrahedra that share corners with six equivalent MnN4 tetrahedra and corners with six equivalent CoN4 tetrahedra. There is three shorter (1.85 Å) and one longer (1.90 Å) Co–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to one Mn2+ and three equivalent Co4+ atoms to form corner-sharing NMnCo3 tetrahedra. In the second N3- site, N3- is bonded to three equivalent Mn2+ and one Co4+ atom to form corner-sharing NMn3Co tetrahedra.