Nitrido‐sodalite Zn₆[P₁₂N₂₄] as a material for reversible hydrogen encapsulation

Host–guest behavior in a nitrido‐sodalite is reported for the first time. The novel nitrido‐sodalite Zn₆[P₁₂N₂₄] has the usual nitrido‐sodalite structure with PN₄ corner‐sharing units, as shown i the Figure, except that the central anion and one quarter of the Zn^2⊕ ions are absent, producing only partial filling of the β‐cages. Hydrogen encapsulation in the β‐cages is discussed. magnified image