TY - JOUR
T1 - The structure of ferroselite, FeSe2, at pressures up to 46 GPa and temperatures down to 50 K
T2 - A single-crystal micro-diffraction analysis
AU - Lavina, Barbara
AU - Downs, Robert T.
AU - Sinogeikin, Stanislav
N1 - Publisher Copyright:
© 2018 by the authors. Licensee MDPI, Basel, Switzerland.
PY - 2018/7/13
Y1 - 2018/7/13
N2 - 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.
AB - 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.
KW - FeSe
KW - High pressure
KW - Low temperature
KW - Single-crystal diffraction
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U2 - 10.3390/cryst8070289
DO - 10.3390/cryst8070289
M3 - Article
AN - SCOPUS:85050738127
SN - 2073-4352
VL - 8
JO - Crystals
JF - Crystals
IS - 7
M1 - 289
ER -