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


  • Generous financial support by the Fonds der Chemischen Industrie and the Deutsche Forschungsgemeinschaft (Project SCHN 377/6-1 and Gottfried- Wilhelm-Leihni, -Programm) is gratefully acknowledged. The Stuttgart group gratefully acknowledges financial support from Deutsche Forschungsgemeinschaft (Sonderforschungshereich 270).


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.

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