2026-07-072026-07-07http://salesiana.dossiersoluciones.com/handle/123456789/86930The two published lithium peroxide structures, both ascribed to the hexagonal P -6 space group, were subjected to reinterpretation and another more symmetric structure, now belonging to the P 63/m m c space group, was found. Detailed density-functional quantum mechanical calculations and crystal structure optimisations were carried out on both structures and the energetic arguments obtained therewith helped to rule out one of them.5 pages, 1 figureAtomic and Molecular Clusterstext