To the Description of the Structural Second-Order Phase Transitions in Triclinic Organic and Organoelement Crystals
All 318 992 records of triclinic crystal structures, presented in the Cambridge Crystallographic Data Centre (CCDC-2023), were analyzed for presence of structural second-order phase transitions occurring without changing the crystal system. Four crystals (10 records) undergoing a classical second-order phase transition were found. The phase transition order was not established for 35 crystals (97 records). The low-symmetry phases of the structures undergoing a classical second-order transition revealed pseudosymmetry relative to the symmetry operators of the high-symmetry phase with large degrees of electron density invariance, η ≥ 0.896(1), with the group–subgroup relationship for symmetry groups retained. A technique for determining the most mobile structure fragment during a second-order phase transition is proposed.
Authors
- T. I. Ovsetsina
- Е. В. Чупрунов (ORCID: https://orcid.org/0000-0002-6455-1026)
- П. Д. Дрожилкин
- Н. В. Сомов (ORCID: https://orcid.org/0000-0001-9460-307X)
Institutions
- N. I. Lobachevsky State University of Nizhny Novgorod (RU)
Publication Details
- Journal
- Crystallography Reports
- Published
- 2024-12-01
- DOI
- https://doi.org/10.1134/s1063774524602090
- Citations
- 1
- Primary Topic
- Chemical Thermodynamics and Molecular Structure
- Type
- article
- Field-Weighted Citation Impact
- 0.25