Materials Data on MnN by Materials Project

Abstract

MnN crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Mn3+ sites. In the first Mn3+ site, Mn3+ is bonded to five N3- atoms to form distorted MnN5 trigonal bipyramids that share corners with six equivalent MnN4 tetrahedra, corners with four equivalent MnN5 trigonal bipyramids, edges with two equivalent MnN4 tetrahedra, and edges with four equivalent MnN5 trigonal bipyramids. There are a spread of Mn–N bond distances ranging from 1.90–2.17 Å. In the second Mn3+ site, Mn3+ is bonded to four N3- atoms to form MnN4 tetrahedra that share corners with four equivalent MnN4 tetrahedra, corners with six equivalent MnN5 trigonal bipyramids, and edges with two equivalent MnN5 trigonal bipyramids. There are a spread of Mn–N bond distances ranging from 1.74–1.96 Å. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a distorted trigonal planar geometry to three Mn3+ atoms. In the second N3- site, N3- is bonded in a 6-coordinate geometry to six Mn3+ atoms.