Abstract
Single crystals of Ba2[TaN3] (monocl., C2/c (Nr. 15); a = 613.0(3), b = 1181.5(4), c = 1326.3(5) pm; β = 91.1(1)°; Ζ = 8) were prepared from mixtures of Li and Ba (molar ratio 1:1) in tantalum crucibles and by reaction with nitrogen (1 atm) at 1000°C. The crystal structure (an isotype of Ba2[ZnO3]) contains infinite tetrahedral anions ∞ 1[TaN2N2/2 4-] (Ta–N: 192.2(13)– 198.8(9) pm) which can be described as “Zweier-Einfach-Kette”. Sr2[TaN3] (monocl., C2/c (Nr. 15); a = 600.5(3), b = 1131.3(7), c = 1260.3(7) pm; β = 91.71(6)°; Ζ = 8) was obtained as a yellow powder containing excess Sr2N by reaction of Sr2N and Ta (molar ratio Sr: Ta = 4.5:1) with nitrogen (1 atm) at 1000°C. The isotypic relationship to Ba2[TaN3] was confirmed by X-ray powder investigations.
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