# To every rule there is an exception: A rational extension of Loewenstein’s rule

M. Fant,
M. Ångqvist,
A. Hellman,
and
P. Erhart
*Angewandte Chemie - International Edition* **60**, 5132
(2021)

doi: 10.1002/anie.202013256

Download PDF

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.