Materials Data on NaVN2 by Materials Project

Abstract

NaVN2 crystallizes in the orthorhombic Cmce space group. The structure is three-dimensional. Na1+ is bonded in a 1-coordinate geometry to eight N3- atoms. There are a spread of Na–N bond distances ranging from 2.42–3.18 Å. V5+ is bonded to four N3- atoms to form a mixture of corner and edge-sharing VN4 tetrahedra. There is one shorter (1.80 Å) and three longer (1.82 Å) V–N bond length. There are two inequivalent N3- sites. In the first N3- site, N3- is bonded in a 2-coordinate geometry to four equivalent Na1+ and two equivalent V5+ atoms. In the second N3- site, N3- is bonded in a 3-coordinate geometry to four equivalent Na1+ and two equivalent V5+ atoms.