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Red transparent single crystals of Ba 9 [NbN 4 ] 2 O[CN 2 ] were synthesised by the reaction of BaO coated Ba metal, C and Nb powder in arc-welded Nb ampoules at 1300 K. The title compound was characterised by X-ray single crystal diffraction (P1̅ , a = 799.05(2), b = 962.61(2) and c = 1264.38(4) pm; α = 75.859(1), β = 85.745(1) and γ = 87.8621(8)°; Z = 2) and Raman spectroscopy (νsym = 1234 and δ = 632/658/668 cm −1 ). It now seems likely that a nitride-azide compound we previously reported, Ba 9 [NbN 4 ] 2 N[N 3 ], does not exist, but is in fact the title compound.

Ba 9 [NbN 4 ] 2 O[Cn 2 ] – Synthesis, Crystal Structure and Raman Spectrum