To every rule there is an exception: A rational extension of Loewenstein’s rule
Angewandte Chemie - International Edition 60, 5132 (2021)
zenodo: 4287250 (associated data)
Loewenstein’ s rule states that Al–O–Al motifs are energetically unstable and is fundamental to the understanding and design of zeolites. Here, using a combination of electronic structure calculations and lattice models, we show under which circumstances this rule becomes invalid and how it can be rationally extended using the chabasite framework for demonstration.