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.

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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
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article

To the Description of the Structural Second-Order Phase Transitions in Triclinic Organic and Organoelement Crystals

T. I. Ovsetsina, Е. В. Чупрунов, П. Д. Дрожилкин, Н. В. Сомов
1 citations
Crystallography Reports
Chemical Thermodynamics and Molecular Structure
0.25
article

To the Description of the Structural Second-Order Phase Transitions in Triclinic Organic and Organoelement Crystals

T. I. Ovsetsina, Е. В. Чупрунов, П. Д. Дрожилкин, Н. В. Сомов
article en
1 citations

Abstract

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.

Crystallography ReportsVol. 69(7)
N. I. Lobachevsky State University of Nizhny Novgorod (RU)
Openalex Percentile: Top 45%
Chemical Thermodynamics and Molecular Structure
0.25
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