Abstract
A new niobium oxynitride Nb2N0.88O0.12 has been synthesized by reducing Nb2O5 in a stream of H2 gas containing 0.07% N2 at 1080°C for 5 weeks. The compound crystallizes in a hexagonal system with space group P31m, and Z=3. The lattice parameters are a=5.2916±0.0001 Å and c=4.9987±0.0001 Å. In this space group, the nitrogen/oxygen atoms statistically occupy the 1a and 2d positions, and niobium atoms occupy the 6k position. This structure is the same as that of β-Nb2N (ε-Fe2N type), and the compound is regarded as a solid solution of β-Nb2N and hypothetical Nb2O of the same crystal structure. The crystallographic parameters were refined by using the Rietveld method. The chemical bonding of this compound seems to have a significant covalent and/or metallic character in the ionic bonding.
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