Bhat, Shrikant ; Wiehl, Leonore ; Haseen, Shariq ; Kroll, Peter ; Glazyrin, Konstantin ; Golle-Leidreiter, Philipp ; Kolb, Ute ; Farla, Robert ; Tseng, Jo-Chi ; Ionescu, Emanuel ; Katsura, Tomoo ; Riedel, Ralf (2020)
A Novel High-Pressure Tin Oxynitride Sn2N2O.
In: Chemistry-a European Journal, 26 (10)
doi: 10.1002/chem.201904529
Artikel, Bibliographie
Kurzbeschreibung (Abstract)
We report the first oxynitride of tin, Sn2N2O (SNO), exhibiting a Rh2S3-type crystal structure with space group Pbcn. All Sn atoms are in six-fold coordination, in contrast to Si in silicon oxynitride (Si2N2O) and Ge in the isostructural germanium oxynitride (Ge2N2O), which appear in four-fold coordination. SNO was synthesized at 20 GPa and 1200-1500 degrees C in a large volume press. The recovered samples were characterized by synchrotron powder X-ray diffraction and single-crystal electron diffraction in the TEM using the automated diffraction tomography (ADT) technique. The isothermal bulk modulus was determined as B-o=193(5) GPa by using in-situ synchrotron X-ray diffraction in a diamond anvil cell. The structure model is supported by DFT calculations. The enthalpy of formation, the bulk modulus, and the band structure have been calculated.
| Typ des Eintrags: | Artikel |
|---|---|
| Erschienen: | 2020 |
| Autor(en): | Bhat, Shrikant ; Wiehl, Leonore ; Haseen, Shariq ; Kroll, Peter ; Glazyrin, Konstantin ; Golle-Leidreiter, Philipp ; Kolb, Ute ; Farla, Robert ; Tseng, Jo-Chi ; Ionescu, Emanuel ; Katsura, Tomoo ; Riedel, Ralf |
| Art des Eintrags: | Bibliographie |
| Titel: | A Novel High-Pressure Tin Oxynitride Sn2N2O |
| Sprache: | Englisch |
| Publikationsjahr: | 17 Februar 2020 |
| Verlag: | Wiley-VCH |
| Titel der Zeitschrift, Zeitung oder Schriftenreihe: | Chemistry-a European Journal |
| Jahrgang/Volume einer Zeitschrift: | 26 |
| (Heft-)Nummer: | 10 |
| DOI: | 10.1002/chem.201904529 |
| URL / URN: | https://onlinelibrary.wiley.com/doi/full/10.1002/chem.201904... |
| Kurzbeschreibung (Abstract): | We report the first oxynitride of tin, Sn2N2O (SNO), exhibiting a Rh2S3-type crystal structure with space group Pbcn. All Sn atoms are in six-fold coordination, in contrast to Si in silicon oxynitride (Si2N2O) and Ge in the isostructural germanium oxynitride (Ge2N2O), which appear in four-fold coordination. SNO was synthesized at 20 GPa and 1200-1500 degrees C in a large volume press. The recovered samples were characterized by synchrotron powder X-ray diffraction and single-crystal electron diffraction in the TEM using the automated diffraction tomography (ADT) technique. The isothermal bulk modulus was determined as B-o=193(5) GPa by using in-situ synchrotron X-ray diffraction in a diamond anvil cell. The structure model is supported by DFT calculations. The enthalpy of formation, the bulk modulus, and the band structure have been calculated. |
| Freie Schlagworte: | density functional calculations; electron diffraction; high-pressure synthesis; synchrotron radiation; tin oxynitride ELECTRON-DIFFRACTION TOMOGRAPHY; INITIO MOLECULAR-DYNAMICS; CRYSTAL-STRUCTURE; X-RAY; SILICON OXYNITRIDE; PHASE-TRANSITIONS; PREDICTION; OXIDE; SNO2; NITRIDE |
| Fachbereich(e)/-gebiet(e): | 11 Fachbereich Material- und Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Geowissenschaften 11 Fachbereich Material- und Geowissenschaften > Geowissenschaften > Fachgebiet Geomaterialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft 11 Fachbereich Material- und Geowissenschaften > Materialwissenschaft > Fachgebiet Disperse Feststoffe |
| Hinterlegungsdatum: | 05 Mär 2020 06:52 |
| Letzte Änderung: | 05 Mär 2020 06:52 |
| PPN: | |
| Projekte: | Federal Ministry of Education & Research (BMBF), Grant Numbers: 05K16WC2, 05K13WC2, National Science Foundation (NSF), Grant Numbers: OISE-1743701, CMMI 1634448 |
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