Materials Data on Nb2N3 by Materials Project
Nb2N3 is Stibnite structured and crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are two inequivalent Nb+4.50+ sites. In the first Nb+4.50+ site, Nb+4.50+ is bonded to seven N3- atoms to form a mixture of distorted edge and corner-sharing NbN7 pentagonal bipyramids. There are a spread of Nb–N bond distances ranging from 2.10–2.24 Å. In the second Nb+4.50+ site, Nb+4.50+ is bonded in a 8-coordinate geometry to eight N3- atoms. There are a spread of Nb–N bond distances ranging from 2.19–2.57 Å. There are three inequivalent N3- sites. In the first N3- site, N3- is bonded to five Nb+4.50+ atoms to form a mixture of distorted edge and corner-sharing NNb5 trigonal bipyramids. In the second N3- site, N3- is bonded to five Nb+4.50+ atoms to form a mixture of distorted edge and corner-sharing NNb5 trigonal bipyramids. In the third N3- site, N3- is bonded in a 4-coordinate geometry to five Nb+4.50+ atoms.