Ba3N2 reacts at 950°C under pure N2 with Zr to yield dark red, air‐sensitive Ba[ZrN2]. This new compound crystallizes in the tetragonal space group P4/nmm with a = 416.10(2), c = 839.2(1) pm and Z = 2. The crystal structure was solved and refined using X‐ray and neutron powder diffraction data. In the nitrido zirconate [ZrN2]2− the Zr atoms exhibit a square‐pyramidal coordination by five N atoms at distances of 201(3) and 220.2(2) pm. The pyramids share all the edges in the basal plane to form layers parallel to (001) with their apices alternately pointing up and down. The Ba2+ cations are integrated into these layers at the levels of the pyramidal apices. The structure can be interpreted as a stuffed PbFCl type. Ba2[NbN3] is formed by the reaction of Ba3N2 and NbN or of Ba and Nb at 1 000°C under N2. Isostructural to Ba2[TaN3] it crystallizes in the monoclinic space group C2/c with a = 613.2(3), b = 1 176.8(3), c = 1 322.9(4) pm, β = 91.65(2)°, Z = 8. The nitrido niobate anions form chains of corner sharing NbN4 tetrahedra with distances NbN between 188(1) and 199.9(9) pm.
Reaction of Ba3N2 with CeN in the stoichiometric ratio 1:3 at 850 °C under an atmosphere of N2 followed by quenching yields air and moisture sensitive BaCeN2. The product crystallizes isotypically to β-RbScO2 with the anti-TiP type structure in the hexagonal space group P63/mmc with a = 365.06(2), c = 1266.03(3) pm, Z = 2. The structure was determined using X-ray and neutron powder diffraction data. In the structure the Ba2+ cations occupy trigonal prismatic holes with distances Ba-N = 288(1) pm while the Ce atoms are in octahedral positions with distances C e -N = 242.4(8) pm
Ba10[Ti4N12] entsteht als äußerst hydrolyseanfälliges rotbraunes Pulver aus Ba3N2, TiN und N2 bei 980°C. Es kristallisiert triklin in der Raumgruppe P1 mit den Gitterkonstanten a = 644,3(4); b = 942,9(7); c = 966,9(7) pm, α = 106,37(4)°; β= 102,22(4)°; γ = 108,56(4)°, Z = 1. Die Kristallstruktur ist aus Ba2+‐Kationen und vierkernigen cyclischen Nitridotitanat(IV)‐Anionen aufgebaut. In den Anionen sind vier TiN4‐Tetraeder über je zwei Ecken zu einem zentrosymmetrischen Ring verknüpft. Die Ringe sind längs [100] zu Röhren gestapelt. Die TiN‐Abstände liegen zwischen 192 und 199 pm.
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