The Behaviour of Occupied and Void Space in Molecular Crystal Structures at High Pressure

Dataset

Abstract

The overall volume of a crystal structure can be partitioned into occupied (‘network’) and unoccupied (‘void’) space. Trends with pressure are very sensitive indicators of phase transitions, correlating closely with spectroscopic data, and can even reveal effects premonitory to loss of long-range order. This data set contains plots of network and void volumes as a function of pressure for crystal structures taken from The Cambridge Structural Database.

Data Citation

Wilson, Cameron; Parsons, Simon. (2021). The Behaviour of Occupied and Void Space in Molecular Crystal Structures at High Pressure, [dataset]. University of Edinburgh. School of Chemistry. https://doi.org/10.7488/ds/3217.
Date made available3 Dec 2021
PublisherEdinburgh DataShare
Geographical coverageEdinburgh,UK,UNITED KINGDOM

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