Synthesis and Characterization of the First Tetracyanamidogallate

This is the authors' abstract. We don't add key points for this paper.

A tetracyanamidogallate with the formula LiSr 2 [Ga(CN 2 ) 4 ] was prepared from stoichiometric mixtures of SrF 2 , GaF 3 , and Li 2 (CN 2 ) in a fused silica tube. The formation of LiSr 2 [Ga(CN 2 ) 4 ] by solid‐state metathesis was studied by differential scanning calorimetry. A crystalline powder of LiSr 2 [Ga(CN 2 ) 4 ] was studied by X‐ray powder diffraction, and powder patterns were indexed isotypically to LiSr 2 [Al(CN 2 ) 4 ]. The crystal structure of LiSr 2 [Ga(CN 2 ) 4 ] was refined by single‐crystal X‐ray diffraction, thus indicating a disorder of Li + and Ga 3+ ions that was investigated by the means of 71 Ga solid‐state magic‐angle spinning (MAS) NMR spectroscopic measurements and DFT calculations.