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The Structure of Ferroselite, FeSe2, at Pressures up to 46 GPa and Temperatures down to 50 K: A Single-Crystal Micro-Diffraction Analysis

1
Center for High Pressure Science & Technology Advanced Research (HPSTAR), Beijing 100094, China
2
Department of Geosciences, University of Arizona Tucson, Tucson, AZ 85721-0077, USA
3
High Pressure Collaborative Access Team, Geophysical Laboratory, Carnegie Institute of Washington, Argonne, IL 60439, USA
*
Author to whom correspondence should be addressed.
Crystals 2018, 8(7), 289; https://doi.org/10.3390/cryst8070289
Received: 11 June 2018 / Revised: 5 July 2018 / Accepted: 6 July 2018 / Published: 13 July 2018
(This article belongs to the Special Issue High-Pressure Studies of Crystalline Materials)
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 pressures and low temperatures were generated using a diamond anvil cell and a cryostat respectively. 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. There are two octahedral Fe-Se bonds, the short bond, with multiplicity two, is slightly more compressible than the long bond, with multiplicity four; as a consequence the octahedral tetragonal compression slightly increases under 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. View Full-Text
Keywords: FeSe2; high pressure; low temperature; single-crystal diffraction FeSe2; high pressure; low temperature; single-crystal diffraction
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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.

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