Materials Data on Lu2N3 by Materials Project
Lu2N3 is Corundum-like structured and crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Lu3+ sites. In the first Lu3+ site, Lu3+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge and corner-sharing LuN6 octahedra. The corner-sharing octahedral tilt angles are 57°. All Lu–N bond lengths are 2.29 Å. In the second Lu3+ site, Lu3+ is bonded to six equivalent N2- atoms to form a mixture of distorted edge and corner-sharing LuN6 octahedra. The corner-sharing octahedra tilt angles range from 55–57°. There are a spread of Lu–N bond distances ranging from 2.24–2.32 Å. N2- is bonded to four Lu3+ atoms to form a mixture of distorted edge and corner-sharing NLu4 tetrahedra.