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High Pressure Research
An International Journal
Volume 30, 2010 - Issue 4
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Further papers

Compression mechanism of GaF3 and FeF3: a high-pressure X-ray diffraction study

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Pages 634-642 | Received 29 Jun 2010, Accepted 17 Sep 2010, Published online: 20 Oct 2010
 

Abstract

The VF3-type compounds MF3 with M = Fe and Ga have been studied by high-pressure energy-dispersive X-ray diffraction. The compression mechanism was found to be highly anisotropic for both compounds, with the c-axis showing little pressure dependence. The volume reduction is mainly achieved through coupled rotations of the MF6 octahedra around the c-axis, which reduces the length of the a-axis. The compression mechanism of both compounds is reasonably well described in terms of deformation of an 8/3/c2 sphere-packing model up to the pressures where the fluorine atoms become hexagonally close-packed. It is proposed that both compounds enter a phase with the fluorine atom arranged in a “super-dense” sphere packing at higher pressures. The zero pressure bulk modulus of FeF3 and GaF3 was determined as 12(2) and 37(3) GPa, respectively, and a scaling relation between the zero pressure bulk modulus and unit cell volumes was found for TiF3, CrF3, FeF3 and GaF3.

Acknowledgements

The authors thank HASYLAB-DESY for permission to use the synchrotron radiation facility. DanScatt is gratefully acknowledged for financial support.

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