Combining Nitridoborates, Nitrides and Hydrides—Synthesis and Characterization of the Multianionic Sr6N[BN2]2H3.

Multianionic metal hydrides, which exhibit a wide variety of physical properties and complex structures, have recently attracted growing interest. Here we present Sr6N[BN2]2H3, prepared in a solid‐state ampoule reaction at 800 °C, as the first combination of nitridoborate, nitride and hydride anions within a single compound. The crystal structure was solved from single‐crystal X‐ray and neutron powder diffraction data in space group P21/c (no. 14), revealing a three‐dimensional network of undulated layers of nitridoborate units, strontium atoms and hydride together with nitride anions. Magic angle spinning (MAS) NMR and vibrational spectroscopy in combination with quantum chemical calculations further confirm the structure model. Electrochemical measurements suggest the existence of hydride ion conductivity, allowing the hydrides to migrate along the layers. [ABSTRACT FROM AUTHOR]