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Zr _2N _2Se: The first zirconium(IV) nitride selenide by the oxidation of zirconium(III) nitride with selenium

机译:Zr _2N _2Se:用硒氧化氮化锆(III)形成的第一个氮化锆(硒)

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摘要

The oxidation of zirconium(III) nitride (ZrN) with suitable amounts of selenium (Se) in the presence of sodium chloride (NaCl) as flux yields small yellow brownish platelets of the first zirconium(IV) nitride selenide with the composition Zr _2N _2Se. The new compound crystallizes in the hexagonal space group P6 _3/mmc (no. 194) with a = 363.98(2) pm, c = 1316.41(9) pm (c/a = 3.617) and two formula units per unit cell. The crystallographically unique Zr ~(4+) cations are surrounded by three selenide and four nitride anions in the shape of a capped trigonal antiprism. The Se ~(2-) anions are coordinated by six Zr ~(4+) cations as trigonal prism and the N ~(3-) anions reside in tetrahedral surrounding of Zr ~(4+) cations. These [NZr _4] ~(13+) tetrahedra become interconnected via three edges each to form ∞ ~2 [(NZr _(4/4)) _2] ~(2+)} double layers parallel to the (001) plane, which are held together by monolayers of Se ~(2-) anions.
机译:在存在氯化钠(NaCl)的情况下,以适量的硒(Se)氧化锆(III)助熔剂,可制得具有黄色小棕褐色血小板的第一氮化锆(IV)硒化锆,其成分为Zr _2N _2Se 。新化合物在六边形空间群P6 _3 / mmc(编号194)中结晶,a = 363.98(2)pm,c = 1316.41(9)pm(c / a = 3.617),每个晶胞有两个公式单位。晶体学上独特的Zr〜(4+)阳离子被三个硒化物和四个氮化物阴离子围绕,呈封端的三角棱镜形状。 Se〜(2-)阴离子由六个Zr〜(4+)阳离子配成三角棱镜,N〜(3-)阴离子位于Zr〜(4+)阳离子的四面体周围。这些[NZr _4]〜(13+)四面体通过三个边相互连接,形成平行于(001)平面的∞〜2 [(NZr _(4/4))_2]〜(2+)}双层,它们通过Se〜(2-)阴离子的单层结合在一起。

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