The reduced nitridogermanates(III) Ca6[Ge2N6] and Sr6[Ge2N6] with Ge-Ge bonds

Link, LukasPathak, ManishaJach, FranziskaKoželj, PrimozOrmeci, AlimHöhn, PeterNiewa, Rainer2024-04-222024-04-2220211433-7851188722050Xhttp://nbn-resolving.de/urn:nbn:de:bsz:93-opus-ds-142605http://elib.uni-stuttgart.de/handle/11682/14260http://dx.doi.org/10.18419/opus-14241The first nitridogermanates(III) Ca6[Ge2N6] and Sr6[Ge2N6] were synthesized from sodium flux and structurally characterized by powder and single crystal X‐ray diffraction, respectively. They crystallize isostructurally to each other and homeotypic to Ca6[Cr2N6]H in space group R3‾. They feature unprecedented, mutually isolated, ethane‐like [GeIII2N6]12- anions in a staggered conformation. The compounds are semiconductors according to resistivity measurements and electronic structure calculations, yielding band gaps of 1.1 eV for Ca6[Ge2N6] and 0.2 eV for Sr6[Ge2N6].eninfo:eu-repo/semantics/openAccesshttps://creativecommons.org/licenses/by/4.0/540The reduced nitridogermanates(III) Ca6[Ge2N6] and Sr6[Ge2N6] with Ge-Ge bondsarticle2023-11-14