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 Zn2⊕ ions are absent, producing only partial filling of the β‐cages. Hydrogen encapsulation in the β‐cages is discussed. magnified image