Zr₂N₂Se: The First Zirconium(IV) Nitride Selenide by the Oxidation of Zirconium(III) Nitride with Selenium

Abstract

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 2 N 2 Se. 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+ cat-* Prof. Dr. Th. Schleid

Topochemical Cross-Linking of the [Hf2N2] Layers with Sulfur in α-HfNBr

“…Recently Lissner et al prepared the β-type Zr 2 N 2 Se isomorphous with β-Hf 2 N 2 S by a direct reaction of a mixture of ZrN and Se in a sealed glass tube at 900 °C. 26 It is well known that α-MNCl (M = Zr, Hf) and α-ZrNBr are thermally transformed to the corresponding β-types under ambient pressure. α-HfNBr and α-MNI (M = Zr, Hf) can be transformed to the β-type only under high pressure.…”

“…Note that the formation of a small amount of the other polytype (space group P 6 3 /mmc ) of the β-type layered structure was detected in the XRD pattern of Figure . Recently Lissner et al prepared the β-type Zr 2 N 2 Se isomorphous with β-Hf 2 N 2 S by a direct reaction of a mixture of ZrN and Se in a sealed glass tube at 900 °C …”

First Principles Study of Topochemical Effects and Electronic Structure Relationships between ANCl and A2N2Se (A = Zr, Ce) Assimilated to Pseudo-Binaries: {AN}Cl and {A2N2}Se

“…Furthermore, this could explain the origin of the 2D-like structure. Interestingly, such 2D like arrangements occur within the A 2 N 2 Se family with A = Zr [5], Ce [6]. These ternaries can be considered as derived from equiatomic ANCl.…”