Materials Data on U2MnN3 by Materials Project

Abstract

U2MnN3 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. U+3.50+ is bonded to seven N3- atoms to form a mixture of distorted face, edge, and corner-sharing UN7 pentagonal bipyramids. There are a spread of U–N bond distances ranging from 2.28–2.52 Å. Mn2+ is bonded in a square co-planar geometry to four N3- atoms. There is two shorter (1.88 Å) and two longer (2.04 Å) Mn–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded to four equivalent U+3.50+ and two equivalent Mn2+ atoms to form NU4Mn2 octahedra that share corners with fourteen NU4Mn2 octahedra, edges with two equivalent NU4Mn2 octahedra, and faces with four equivalent NU5Mn octahedra. The corner-sharing octahedra tilt angles range from 0–58°. In the second N3- site, N3- is bonded to five equivalent U+3.50+ and one Mn2+ atom to form distorted NU5Mn octahedra that share corners with eleven NU4Mn2 octahedra, edges with eight equivalent NU5Mn octahedra, and faces with two equivalent NU4Mn2 octahedra. The corner-sharing octahedra tilt angles range from 0–58°.