On the crystal structure of lithium peroxide, Li2O2

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dc.creatorCota, Luis Guillermo
dc.creatorde la Mora, Pablo
dc.date2005-03-10
dc.date.accessioned2026-07-07T05:54:20Z
dc.date.available2026-07-07T05:54:20Z
dc.descriptionThe 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.
dc.description5 pages, 1 figure
dc.identifierhttps://arxiv.org/abs/physics/0503082
dc.identifierhttp://arxiv.org/abs/physics/0503082
dc.identifier.urihttp://salesiana.dossiersoluciones.com/handle/123456789/86930
dc.subjectAtomic and Molecular Clusters
dc.titleOn the crystal structure of lithium peroxide, Li2O2
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