Materials Data on NbN3O8 by Materials Project
(NbO8)2(N2)3 crystallizes in the tetragonal I-42m space group. The structure is zero-dimensional and consists of six ammonia molecules and two NbO8 clusters. In each NbO8 cluster, Nb5+ is bonded in a hexagonal bipyramidal geometry to eight O2- atoms. There are four shorter (2.07 Å) and four longer (2.08 Å) Nb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+ and one O2- atom. The O–O bond length is 1.38 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one Nb5+ and one O2- atom.
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