Preprint Article Version 1 This version is not peer-reviewed

The Structure of Ferroselite, FeSe2, at Pressures Upto 46 GPa and Temperatures Down to 50 K: ASingle-Crystal Micro-Diffraction Analysis

Version 1 : Received: 11 June 2018 / Approved: 12 June 2018 / Online: 12 June 2018 (10:25:24 CEST)

A peer-reviewed article of this Preprint also exists.

Lavina, B.; Downs, R.T.; Sinogeikin, S. The Structure of Ferroselite, FeSe2, at Pressures up to 46 GPa and Temperatures down to 50 K: A Single-Crystal Micro-Diffraction Analysis. Crystals 2018, 8, 289. Lavina, B.; Downs, R.T.; Sinogeikin, S. The Structure of Ferroselite, FeSe2, at Pressures up to 46 GPa and Temperatures down to 50 K: A Single-Crystal Micro-Diffraction Analysis. Crystals 2018, 8, 289.

Journal reference: Crystals 2018, 8, 289
DOI: 10.3390/cryst8070289

Abstract

We conducted an in-situ crystal structure analysis of ferroselite at non-ambient conditions. The aim is to provide a solid ground to further the understanding of the properties of this material in a broad range of conditions. Ferroselite, marcasite-type FeSe2, was studied under high pressures up to 46 GPa and low temperatures, down to 50 K using single-crystal microdiffraction techniques. High pressure and low temperatures were generated using a diamond anvil cell and a cryostat. We found no evidences of structural instability in the explored P-T space. The deformation of the orthorhombic lattice is slightly anisotropic. As expected, the compressibility of the Se-Se dumbbell, the longer bond in the structure, is larger than that of the Fe-Se bonds. Less obvious is the behavior of the octahedral bonds, the shorter bond is the most compressible determining a small increase in the octahedron distortion with pressure. We also achieved a robust structural analysis of ferroselite at low temperature in the diamond anvil cell. Structural changes upon temperature decrease are small but qualitatively similar to those produced by pressure.

Subject Areas

FeSe2; high pressure; low temperature; single crystal diffraction

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