Abstract
Nitridomagnesogermanate Ba[Mg3GeN4]:Eu2+ was synthesized by the NaN3 route in weld‐shut tantalum ampules by reaction of the elements in molten sodium with NaN3 as nitrogen source at 780 °C. The crystal structure was solved and refined on the basis of single‐crystal X‐ray diffraction data. Ba[Mg3GeN4]:Eu2+ crystallizes in the UCr4C4 structure type [space group I4/m (no. 87), a = 8.3921(12), c = 3.4813(7) Å, Z = 2] and exhibits a highly condensed anionic network made up of statistically disordered (Mg/Ge)N4 tetrahedra, which are connected to each other by common vertices and edges to form vierer ring channels along [001]. Ba2+ is located in every second channel and has cubelike coordination by eight N atoms. Theoretical calculations of the electronic properties of Ba[Mg3GeN4]:Eu2+ are discussed to understand the absence of photoluminescence in the visible range and for comparison with other luminescent materials that are structurally related to Ba[Mg3GeN4]:Eu2+.
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