What is it about?
The paper rigorously defines the concept of a crystal structure as a class of all different but rigidly equivalent representations of crystals. The recent invariant descriptors distinguish all periodic crystals in major databases of experimental structures and theoretically distinguish all (infinitely many) generic periodic structures.
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Why is it important?
Any (near-)duplicates and potential fraudulent structures can be quickly detected by the new invariants to restore the public trust in crystallography, which was lost because of artificial tools and `paper mills', https://cen.acs.org/research-integrity/Crystallography-databases-hunt-fraudulent-structures/102/i8. The underlying Crystal Isometry Principle (CRISP) is a new law of nature that allows to map all real periodic structures in a common continuous space similar to a map of stars in the simpler 3-dimensional universe.
Perspectives
This paper initiates the development of a new branch of Continuous Crystallography within the wider area of Geometric Data Science, https://kurlin.org/research-papers.php#Geometric-Data-Science.
Vitaliy Kurlin
University of Liverpool
Read the Original
This page is a summary of: The importance of definitions in crystallography, IUCrJ, May 2024, International Union of Crystallography,
DOI: 10.1107/s2052252524004056.
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