The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study
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The High-Pressure Phase Transition in Jamesonite : A Single-Crystal Synchrotron X-ray Diffraction Study. / Comodi, Paola; Balić-Žunić, Tonci; Fastelli, Maximiliano; Hanfland, Michael; Collings, Ines; Zucchini, Azzurra.
I: Crystals, Bind 13, Nr. 8, 1258, 2023.Publikation: Bidrag til tidsskrift › Tidsskriftartikel › Forskning › fagfællebedømt
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TY - JOUR
T1 - The High-Pressure Phase Transition in Jamesonite
T2 - A Single-Crystal Synchrotron X-ray Diffraction Study
AU - Comodi, Paola
AU - Balić-Žunić, Tonci
AU - Fastelli, Maximiliano
AU - Hanfland, Michael
AU - Collings, Ines
AU - Zucchini, Azzurra
N1 - Publisher Copyright: © 2023 by the authors.
PY - 2023
Y1 - 2023
N2 - The high-pressure behavior of jamesonite (FePb4Sb6S14, a = 4.08(3) Å, b = 19.08(3) Å, c = 15.67(3) Å, β= 91.89°, space group P21/c) has been investigated using in situ HP synchrotron X-ray single-crystal diffraction up to ~17 GPa with a diamond anvil cell under hydrostatic conditions. Results of the volume isothermal equation of state (EoS), determined by fitting the P-V data with a third-order Birch–Murnaghan (BM) EoS, are V0 = 1207.1(4) Å3, K0 = 36(1) GPa and K’ = 5.7(7). At high pressure, jamesonite undergoes a phase transition to an orthorhombic structure with a Pmcb space group (β-jamesonite). The analysis of β-jamesonite’s compressibility up to 16.6 GPa, studied by fitting the data with a second-order BM-EoS, gives V0 = 1027(2) Å3, K0 = 74(2) GPa. The comparison of the structural refinements at different pressures indicates that Fe, Pb and Sb do not change their coordination number over the whole investigated P range, respectively, 6 for Fe, 7 and 8 for Pb and 5 + 2 for Sb. However, a significant change occurs on the orientation of Sb lone electron pairs upon the phase transition in accordance with the change in symmetry. Furthermore, a discontinuity in the Fe chain evolution at the transition pressure is observed.
AB - The high-pressure behavior of jamesonite (FePb4Sb6S14, a = 4.08(3) Å, b = 19.08(3) Å, c = 15.67(3) Å, β= 91.89°, space group P21/c) has been investigated using in situ HP synchrotron X-ray single-crystal diffraction up to ~17 GPa with a diamond anvil cell under hydrostatic conditions. Results of the volume isothermal equation of state (EoS), determined by fitting the P-V data with a third-order Birch–Murnaghan (BM) EoS, are V0 = 1207.1(4) Å3, K0 = 36(1) GPa and K’ = 5.7(7). At high pressure, jamesonite undergoes a phase transition to an orthorhombic structure with a Pmcb space group (β-jamesonite). The analysis of β-jamesonite’s compressibility up to 16.6 GPa, studied by fitting the data with a second-order BM-EoS, gives V0 = 1027(2) Å3, K0 = 74(2) GPa. The comparison of the structural refinements at different pressures indicates that Fe, Pb and Sb do not change their coordination number over the whole investigated P range, respectively, 6 for Fe, 7 and 8 for Pb and 5 + 2 for Sb. However, a significant change occurs on the orientation of Sb lone electron pairs upon the phase transition in accordance with the change in symmetry. Furthermore, a discontinuity in the Fe chain evolution at the transition pressure is observed.
KW - antimony
KW - FePbSbS
KW - high pressure
KW - jamesonite
KW - sulfosalt
U2 - 10.3390/cryst13081258
DO - 10.3390/cryst13081258
M3 - Journal article
AN - SCOPUS:85169164304
VL - 13
JO - Crystals
JF - Crystals
SN - 2073-4352
IS - 8
M1 - 1258
ER -
ID: 369127248