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Figure 1
In this paper we analyse the statistical distribution of disorder in the ICSD. To do this, we (i) introduce a method of classification of crystallographic orbits with respect to the type of disorder they contain, using labels O (order), S (substitutional), V (vacancies) and P (positional), (ii) introduce quantitative measures of disorder such as mixing and configurational entropy, fraction of vacancies, and fraction of disordered sites, and (iii) propose how the description of disorder can be added to the description of structure types, as 50% of compounds in the ICSD contain disorder.

Journal logoJOURNAL OF
APPLIED
CRYSTALLOGRAPHY
ISSN: 1600-5767
Volume 58| Part 3| June 2025| Pages 659-677
https://doi.org/10.1107/S1600576725003000
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