Materials Data on Nb4O5 by Materials Project
Nb4O5 crystallizes in the tetragonal P4_2/nmc space group. The structure is three-dimensional. Nb+2.50+ is bonded to five O2- atoms to form a mixture of distorted edge and corner-sharing NbO5 square pyramids. There are a spread of Nb–O bond distances ranging from 2.11–2.23 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to four equivalent Nb+2.50+ atoms to form a mixture of distorted edge and corner-sharing ONb4 tetrahedra. In the second O2- site, O2- is bonded to four equivalent Nb+2.50+ atoms to form a mixture of distorted edge and corner-sharing ONb4 tetrahedra.
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