The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study
The high-pressure behavior of jamesonite (FePb<sub>4</sub>Sb<sub>6</sub>S<sub>14</sub>, a = 4.08(3) Å, b = 19.08(3) Å, c = 15.67(3) Å, β= 91.89°, space group <i>P</i>2<sub>1</sub>/<i>c</i>) has been investigated using in situ HP...
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MDPI AG
2023-08-01
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| Online Access: | https://www.mdpi.com/2073-4352/13/8/1258 |
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| author | Paola Comodi Tonci Balić-Žunić Maximiliano Fastelli Michael Hanfland Ines Collings Azzurra Zucchini |
| author_facet | Paola Comodi Tonci Balić-Žunić Maximiliano Fastelli Michael Hanfland Ines Collings Azzurra Zucchini |
| author_sort | Paola Comodi |
| collection | DOAJ |
| description | The high-pressure behavior of jamesonite (FePb<sub>4</sub>Sb<sub>6</sub>S<sub>14</sub>, a = 4.08(3) Å, b = 19.08(3) Å, c = 15.67(3) Å, β= 91.89°, space group <i>P</i>2<sub>1</sub>/<i>c</i>) 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 <i>P</i>-V data with a third-order Birch–Murnaghan (BM) EoS, are <i>V</i><sub>0</sub> = 1207.1(4) Å<sup>3</sup>, K<sub>0</sub> = 36(1) GPa and K’ = 5.7(7). At high pressure, jamesonite undergoes a phase transition to an orthorhombic structure with a <i>Pmcb</i> 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 <i>V</i><sub>0</sub> = 1027(2) Å<sup>3</sup>, K<sub>0</sub> = 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 <i>P</i> 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. |
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| language | English |
| last_indexed | 2024-03-11T00:00:55Z |
| publishDate | 2023-08-01 |
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| spelling | doaj.art-1c005e7036f049d69dee82a6d079df7c2023-11-19T00:45:37ZengMDPI AGCrystals2073-43522023-08-01138125810.3390/cryst13081258The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction StudyPaola Comodi0Tonci Balić-Žunić1Maximiliano Fastelli2Michael Hanfland3Ines Collings4Azzurra Zucchini5Department of Physics and Geology, University of Perugia, 06123 Perugia, ItalyDepartment of Geosciences and Natural Resource Management, University of Copenhagen, 1350 Copenhagen, DenmarkDepartment of Physics and Geology, University of Perugia, 06123 Perugia, ItalyEuropean Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, FranceEuropean Synchrotron Radiation Facility, 71 Avenue des Martyrs, 38000 Grenoble, FranceDepartment of Physics and Geology, University of Perugia, 06123 Perugia, ItalyThe high-pressure behavior of jamesonite (FePb<sub>4</sub>Sb<sub>6</sub>S<sub>14</sub>, a = 4.08(3) Å, b = 19.08(3) Å, c = 15.67(3) Å, β= 91.89°, space group <i>P</i>2<sub>1</sub>/<i>c</i>) 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 <i>P</i>-V data with a third-order Birch–Murnaghan (BM) EoS, are <i>V</i><sub>0</sub> = 1207.1(4) Å<sup>3</sup>, K<sub>0</sub> = 36(1) GPa and K’ = 5.7(7). At high pressure, jamesonite undergoes a phase transition to an orthorhombic structure with a <i>Pmcb</i> 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 <i>V</i><sub>0</sub> = 1027(2) Å<sup>3</sup>, K<sub>0</sub> = 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 <i>P</i> 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.https://www.mdpi.com/2073-4352/13/8/1258jamesonitehigh pressuresulfosaltFePb<sub>4</sub>Sb<sub>6</sub>S<sub>14</sub>antimony |
| spellingShingle | Paola Comodi Tonci Balić-Žunić Maximiliano Fastelli Michael Hanfland Ines Collings Azzurra Zucchini The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study Crystals jamesonite high pressure sulfosalt FePb<sub>4</sub>Sb<sub>6</sub>S<sub>14</sub> antimony |
| title | The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study |
| title_full | The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study |
| title_fullStr | The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study |
| title_full_unstemmed | The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study |
| title_short | The High-Pressure Phase Transition in Jamesonite: A Single-Crystal Synchrotron X-ray Diffraction Study |
| title_sort | high pressure phase transition in jamesonite a single crystal synchrotron x ray diffraction study |
| topic | jamesonite high pressure sulfosalt FePb<sub>4</sub>Sb<sub>6</sub>S<sub>14</sub> antimony |
| url | https://www.mdpi.com/2073-4352/13/8/1258 |
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