X-Ray Diffraction Highlights


3D atomic structure determination with ultrashort-pulse MeV electron diffraction pic
X-Ray Diffraction|

3D atomic structure determination with ultrashort-pulse MeV electron diffraction

V. Hennicke, M. Hachmann, P.B. Klar, P.Y.A. Reinke, T. Pakendorf, J. Meyer, H. Delsim-Hashemi, M. Barthelmess, S. Thekku Veedu, P. Fischer, A.C. Rodrigues, A. Qelaj, A. Tolstikova, O. Yefanov, J. Wernsmann, F. Lemery, R. Schubert, I. De Diego, S. Hayes, S. Günther, S. Falke, E. Fröjd, A. Mozzanica,…

find out more: 3D atomic structure determination with ultrashort-pulse MeV electron diffraction

Temperature-dependent properties
X-Ray Diffraction| Spectroscopy|

Temperature-dependent properties and phase changes of the mullite-type Pb₂(Pb₁₋ₓSnₓ)O₄ solid solution

Christopher S. Reuter, Lars Robben, M. Mangir Murshed, Thorsten M. Gesing

Journal of Solid State Chemistry 359 (2026): 126008

https://doi.org/10.1016/j.jssc.2026.126008

Each member of the mullite-type Pb2(Pb1-xSnx)O4 solid-solution can be described with the schafarzikite structure type. The…

find out more: Temperature-dependent properties and phase changes of the mullite-type Pb₂(Pb₁₋ₓSnₓ)O₄ solid solution

Growth, structure, and morphology of
X-Ray Diffraction| Spectroscopy|

Growth, structure, and morphology of ultra-thin tin oxide phases forming on Pt₃Sn(111) single crystals upon exposure to oxygen

Nicolas Braud, Harald J. Wallander, Lars Buß, Mats Löfstrand, Jakob Blomqvist, Claire Berschauer, A. Morales Rodriguez, Philip M. Kofoed, Andrea Resta, Jon-Olaf Krisponeit, Th H. Schmidt, Edvin Lundgren, Jan I. Flege, Jens Falta, Lindsay R. Merte

Surface Science 767 (2026): 122927

…

find out more: Growth, structure, and morphology of ultra-thin tin oxide phases forming on Pt₃Sn(111) single crystals upon exposure to oxygen

Partial-to-fully oxidized spectrum of Ti3C2Tx MXene-derived TiO2 free-standing films for nonvolatile high endurance memristive data storage pic
X-Ray Diffraction| Spectroscopy| Electron Microscopy|

Partial-to-fully oxidized spectrum of Ti₃C₂Tₓ MXene-derived TiO₂ free-standing films for nonvolatile high endurance memristive data storage

Kubra Sattar, Rabia Tahir, Muhammad Yousaf, Thorsten M. Gesing, M. Mangir Murshed, Syed Rizwan

Applied Physics Reviews 12 (2025): 041413

https://doi.org/10.1063/5.0293660

As an exemplary member of the MXene family belonging to the class of two-dimensional materials, titanium carbide (Ti3C2Tx)…

find out more: Partial-to-fully oxidized spectrum of Ti₃C₂Tₓ MXene-derived TiO₂ free-standing films for nonvolatile high endurance memristive data storage

On-chip catalytic combustion of hydrogen using Pt and Ru quantum-crystallites on functionalized SiO2 aerogels pic
X-Ray Diffraction| Electron Microscopy|

On-chip catalytic combustion of hydrogen using Pt and Ru quantum-crystallites on functionalized SiO₂ aerogels

Ana Luiza Silveira Fiates, Oliver Thüringer, Andreas Schander, Raphaell Moreira, Marco Schowalter, Wilke Dononelli, Konrad Krämer, Andreas Rosenauer, Thorsten M. Gesing, Michael J. Vellekoop

Journal of Materials Science: Materials in Engineering 20 (2025): 140 

…

find out more: On-chip catalytic combustion of hydrogen using Pt and Ru quantum-crystallites on functionalized SiO₂ aerogels

Gas phase synthesis of mixed Cu1.8S-ZnS particles and the terminal phases in the reducing atmosphere pic
X-Ray Diffraction| Electron Microscopy|

Gas phase synthesis of mixed Cu₁.₈S-ZnS particles and the terminal phases in the reducing atmosphere

Suman Pokhrel, Muhammad Ali Martuza, Jan Derk Groeneveld, Marco Schowalter, Andreas Rosenauer, Johannes Birkenstock, Lutz Mädler

Powder Technology 465 (2025): 121318

https://doi.org/10.1016/j.powtec.2025.121318

The synthesis of Cu₁.₈S, ZnS, and Cu₁.₈S-ZnS composite nanoparticles is achieved via…

find out more: Gas phase synthesis of mixed Cu₁.₈S-ZnS particles and the terminal phases in the reducing atmosphere

Controlled Synthesis of Copper Sulfide Nanoparticles in Oxygen-Deficient Conditions Using Flame Spray Pyrolysis (FSP) and Its Potential Application
X-Ray Diffraction| Electron Microscopy|

Controlled Synthesis of Copper Sulfide Nanoparticles in Oxygen-Deficient Conditions Using Flame Spray Pyrolysis (FSP) and Its Potential Application

Muhammad Ali Martuza, Suman Pokhrel, Jakob Stahl, Marco Schowalter, Andreas Rosenauer, Lutz Mädler

Small 21 (2025): 2409993

https://doi.org/10.1002/smll.202409993

The objective of this study is to investigate the influence of various process parameters, such as the fuel-to-oxygen ratio, precursor…

find out more: Controlled Synthesis of Copper Sulfide Nanoparticles in Oxygen-Deficient Conditions Using Flame Spray Pyrolysis (FSP) and Its Potential Application

Making parts on Mars: Laser processing of iron contaminated by regolith simulant pic
3D Materials Analytics| X-Ray Diffraction| Electron Microscopy|

Making parts on Mars: Laser processing of iron contaminated by regolith simulant

Askar Kvaratskheliya, Aleksandr Filimonov, Bruno Bianchini, Muchammad Izzuddin Jundullah Hanafi, Thorsten M. Gesing, Taisuke T. Sasaki, Piter Gargarella, Lutz Mädler, Ilya Okulov

Materials Today Advances 25 (2025): 100566

https://doi.org/10.1016/j.mtadv.2025.100566

Manufacturing pure metals on…

find out more: Making parts on Mars: Laser processing of iron contaminated by regolith simulant

Effect of intrinsic heat treatment on the precipitate formation of X40CrMoV5–1 tool steel during laser-directed energy deposition: A coupled study of atom probe tomography and in situ synchrotron X-ray diffraction pic
3D Materials Analytics| Correlated Workflows| X-Ray Diffraction| Electron Microscopy|

Effect of intrinsic heat treatment on the precipitate formation of X40CrMoV5–1 tool steel during laser-directed energy deposition: A coupled study of atom probe tomography and in situ synchrotron X-ray diffraction

Antonio Carlos de F. Silveira, Lisa T. Belkacemi, Pedro José de Castro, Marco Schowalter, Rainer Fechte-Heinen, Jérémy Epp

Acta Materialia 283 (2025): 120488

https://doi.org/10.1016/j.actamat.2024.120488

Additively manufactured components are generally heat treated to remove the undesired…

find out more: Effect of intrinsic heat treatment on the precipitate formation of X40CrMoV5–1 tool steel during laser-directed energy deposition: A coupled study of atom probe tomography and in situ synchrotron X-ray diffraction

Plagioclase feldspars (Ca1-xNa x )(Al2-xSi2+x)O8: synthesis and characterizations of mechanical weathering relevant to Martian regolith pic
X-Ray Diffraction| Spectroscopy| Electron Microscopy|

Plagioclase feldspars (Ca₁₋ₓNaₓ)(Al₂₋ₓSi₂₊ₓ)O₈: synthesis and characterizations of mechanical weathering relevant to Martian regolith

Izzuddin Jundullah Hanafi, Mohammad Mangir Murshed, Lars Robben, Thorsten M. Gesing

Zeitschrift Für Kristallographie - Crystalline Materials (2024)

https://doi.org/10.1515/zkri-2024-0117

Plagioclase feldspars draw intensive research attention in planetary sciences because of their abundance in…

find out more: Plagioclase feldspars (Ca₁₋ₓNaₓ)(Al₂₋ₓSi₂₊ₓ)O₈: synthesis and characterizations of mechanical weathering relevant to Martian regolith

Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith pic
Materials Modelling| X-Ray Diffraction| Spectroscopy|

Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith

Muchammad Izzuddin Jundullah Hanafi, Lorenzo Bastonero, Mohammad Mangir Murshed, Lars Robben, Wilke Dononelli, Andrea Kirsch, Nicola Marzari, Thorsten M. Gesing

IUCrJ 11 (2024): 977-990

https://doi.org/10.1107/S2052252524009722

Regolith draws intensive research attention because of its importance…

find out more: Synthesis, structural and spectroscopic characterization of defect-rich forsterite as a representative phase of Martian regolith

Photo Electrocatalytic Water Splitting Using Sn Doped In2S3 Homologous Series Synthesized in Oxygen Deficient Flame pic
X-Ray Diffraction| Electron Microscopy|

Photo Electrocatalytic Water Splitting Using Sn Doped In₂S₃ Homologous Series Synthesized in Oxygen Deficient Flame

Suman Pokhrel, Jakob Stahl, Lizhuo Wang, Rui Tang, Haoyue Sun, Malte Schalk, Marco Schowalter, Andreas Rosenauer, Jun Huang, Johannes Kiefer, Johannes Birkenstock, Lutz Mädler

Advanced Functional Materials (2024): 2411521

https://doi.org/10.1002/adfm.202411521

The innovative development of…

find out more: Photo Electrocatalytic Water Splitting Using Sn Doped In₂S₃ Homologous Series Synthesized in Oxygen Deficient Flame

Mechanochemical synthesis of (Mg1−xFe x )2SiO4 olivine phases relevant to Martian regolith: structural and spectroscopic characterizations article picture
X-Ray Diffraction| Spectroscopy|

Mechanochemical synthesis of (Mg₁₋ₓFeₓ)₂SiO₄ olivine phases relevant to Martian regolith: structural and spectroscopic characterizations

Izzuddin Jundullah Hanafi, M. Mangir Murshed, Lars Robben, Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials (2024)

https://doi.org/10.1515/zkri-2024-0078

To fabricate metals from the base materials for future Mars exploration, synthesis of representative olivine phases…

find out more: Mechanochemical synthesis of (Mg₁₋ₓFeₓ)₂SiO₄ olivine phases relevant to Martian regolith: structural and spectroscopic characterizations

[Translate to English:] Synthesis, characterization and structure-property relations in mullite-type Pb2(Pb1−xSn x )O4 solid solution article pic
Materials Modelling| X-Ray Diffraction| Spectroscopy|

Synthesis, characterization and structure-property relations in mullite-type Pb₂(Pb₁₋ₓSnₓ)O₄ solid solution

Christopher S. Reuter, M. Mangir Murshed, Michael Fischer, Thorsten. M. Gesing 

Zeitschrift für Kristallographie - Crystalline Materials (2024)

https://doi.org/10.1515/zkri-2024-0088

The crystal structures of both Pb2PbO4 (Pb3O4) and Pb2SnO4 at room temperature can be described using mullite-type…

find out more: Synthesis, characterization and structure-property relations in mullite-type Pb₂(Pb₁₋ₓSnₓ)O₄ solid solution

Broadening the Realm of Nanoporous Gold Catalysts: Preparation and Properties When Emanating from AuCu as Parent Alloy article picture
X-Ray Diffraction| Spectroscopy| Electron Microscopy|

Broadening the Realm of Nanoporous Gold Catalysts: Preparation and Properties When Emanating from AuCu as Parent Alloy

Jorge Adrian Tapia Burgos, Christoph Mahr, Alex Ricardo Silva Olaya, Lars Robben, Marco Schowalter, Thorsten Gesing, Andreas Rosenauer, Gunther Wittstock, Arne Wittstock, Marcus Bäumer

ChemCatChem (2024): e202400280

https://doi.org/10.1002/cctc.202400280

Nanoporous gold (npAu) attracted…

find out more: Broadening the Realm of Nanoporous Gold Catalysts: Preparation and Properties When Emanating from AuCu as Parent Alloy

[Translate to English:] Synthesis of a stable crystalline nitrene article pic
X-Ray Diffraction|

Synthesis of a stable crystalline nitrene

Marvin Janssen, Thomas Frederichs, Marian Olaru, Enno Lork, Emanuel Hupf, Jens Beckmann 

Science 385(6706) (2024): 318-321

DOI: 10.1126/science.adp4963

Nitrenes are a highly reactive, yet fundamental, compound class. They possess a monovalent nitrogen atom and usually a short life span, typically…

find out more: Synthesis of a stable crystalline nitrene

The Picture of Synthesis and characterization of (Pb1−xSr x )MnBO4: a structural and spectroscopic study (2024)
Materials Modelling| X-Ray Diffraction|

Synthesis and characterization of (Pb₁₋ₓ Srₓ )MnBO₄: a structural and spectroscopic study

Carla M, Uribe-Rincon, M Mangir Murshed, Thorsten M. Gesing

Journal of Crystallography - Crystalline Materials 239 (2024): 3-4

https://doi.org/10.1515/zkri-2023-0056

The presence of  ns 2  stereo-chemical active lone electron pairs (LEPs) causes asymmetric atomic environments around a given  p…

find out more: Synthesis and characterization of (Pb₁₋ₓ Srₓ )MnBO₄: a structural and spectroscopic study

Growth, catalysis, and faceting of α-Ga2O3 and α-(InxGa1−x)2O3 on m-plane α-Al2O3 by molecular beam epitaxy pic
X-Ray Diffraction| Spectroscopy| Surface Analytics| Electron Microscopy|

Growth, catalysis, and faceting of α-Ga₂O₃ and α-(InₓGa₁₋ₓ)₂O₃ on m-plane α-Al₂O₃ by molecular beam epitaxy

Martin S. Williams, Manuel Alonso-Orts, Marco Schowalter, Alexander Karg, Sushma Raghuvansy, Jon P. McCandless, Debdeep Jena, Andreas Rosenauer, Martin Eickhoff, Patrick Vogt 

APL Materials 12 (2024): 011120

https://doi.org/10.1063/5.0180041

The growth of α-Ga2O3 and α-(InxGa1−x)2O3 on m-plane…

find out more: Growth, catalysis, and faceting of α-Ga₂O₃ and α-(InₓGa₁₋ₓ)₂O₃ on m-plane α-Al₂O₃ by molecular beam epitaxy

Halide-sodalites: thermal expansion, decomposition and the Lindemann criterion pics
Materials Modelling| X-Ray Diffraction|

Halide-sodalites: thermal behavior at low temperatures and local deviations from the average structure

Marius Wolpmann, Martin Etter, Andrea Kirsch, Filippo Balzaretti, Wilke Dononelli, Lars Robben, Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials 238 (2023): 27 - 38

https://doi.org/10.1515/zkri-2022-0037

Sodalites of the general type |Na8X2|[T1T2O4]6 with X = Cl−, Br−,…

find out more: Halide-sodalites: thermal behavior at low temperatures and local deviations from the average structure

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Correlated Workflows| In-situ, real-time investigations| X-Ray Diffraction| Spectroscopy| Electron Microscopy|

On red tin (II) oxide: temperature-dependent structural, spectroscopic, and thermogravimetric properties

Sarah Wittmann,  M. Mangir Murshed,  Thorsten M. Gesing

Z. Anorg. Allg. Chem. 648 (2022): e20220031

https://doi.org/10.1002/zaac.202200311

Polycrystalline red tin(II)oxide (RSO) has been synthesized by a fast reflux method. X-ray powder diffraction (XRPD) data Rietveld refinement confirms the…

find out more: On red tin (II) oxide: temperature-dependent structural, spectroscopic, and thermogravimetric properties

picture
Correlated Workflows| In-situ, real-time investigations| X-Ray Diffraction|

Effects of iron substitution and anti-site disorder on crystal structures, vibrational, optical and magnetic properties of double perovskites Sr₂(Fe₁₋ₓNiₓ)TeO₆

Asmaa Zaraq, Duncan H. Gregory, Brahim Orayech, Josu M. Igartua, Abdeslam El Bouari, James D. Eales, Paul A. Bingham and Thorsten M. Gesing

Dalton Transactions 45 (2022): 4086

https://doi.org/10.1039/D2DT02447K

The double-perovskite series, Sr2(Fe1−xNix)TeO6 (x = 0, 0.25, 0.50, 0.75, and 1) has…

find out more: Effects of iron substitution and anti-site disorder on crystal structures, vibrational, optical and magnetic properties of double perovskites Sr₂(Fe₁₋ₓNiₓ)TeO₆

The İmage of Nano-crystalline precursor formation, stability, and transformation to mullite-type visible-light photocatalysts (2022)
X-Ray Diffraction| Spectroscopy|

Nano-crystalline precursor formation, stability, and transformation to mullite-type visible-light photocatalysts

Thorsten M. Gesing, M. Mangir Murshed, Selina Schuh, Oliver Thüringer, Konrad Krämer, Tim Neudecker, Cecilia B. Mendive & Lars Robben 

Journal of Materials Science 57 (2022): 19280-19299

https://doi.org/10.1007/s10853-022-07854-w

A new precursor for the formation of mullite-type visible-light…

find out more: Nano-crystalline precursor formation, stability, and transformation to mullite-type visible-light photocatalysts

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X-Ray Diffraction|

Revisiting the Growth of Large (Mg,Zr):SrGa₁₂O₁₉ Single Crystals: Core Formation and Its Impact on Structural Homogeneity Revealed by Correlative X-ray Imaging

Christo Guguschev, Carsten Richter, Mario Brützam, Kaspars Dadzis, Christian Hirschle, Thorsten M. Gesing, Michael Schulze, Albert Kwasniewski, Jürgen Schreuer, Darrell G. Schlom

Crystal Growth and Design 22 (2022): 2557–2568

https://doi.org/10.1021/acs.cgd.2c00030

We demonstrate the growth of…

find out more: Revisiting the Growth of Large (Mg,Zr):SrGa₁₂O₁₉ Single Crystals: Core Formation and Its Impact on Structural Homogeneity Revealed by Correlative X-ray Imaging

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X-Ray Diffraction|

Halide-sodalites: thermal expansion, decomposition and the Lindemann criterion

Marius Wolpmann, Lars Robben, Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials 237 (2022): 1-3

https://doi.org/10.1515/zkri-2022-0004

Twelve cubic sodalites |Na8X2|[T1T2O4]6 (T1 = Al3+, Ga3+; T2 = Si4+, Ge4+; X = Cl−, Br−, I−) were examined using high-temperature (HT)…

find out more: Halide-sodalites: thermal expansion, decomposition and the Lindemann criterion

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X-Ray Diffraction| Spectroscopy|

Thermal anomalies and phase transitions in Pb₂Sc₂Si₂O₉ and Pb₂In₂Si₂O₉

Mathias Gogolin, M. Mangir Murshed, Lkhamsuren Bayarjargal, Detlef Klimm, Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials 236 (2021): 283-292

https://doi.org/10.1515/zkri-2021-2046

Pb2Sc2Si2O9 and Pb2In2Si2O9, respectively, the scandium and indium containing structural…

find out more: Thermal anomalies and phase transitions in Pb₂Sc₂Si₂O₉ and Pb₂In₂Si₂O₉

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X-Ray Diffraction| Spectroscopy|

KLi₂RE(BO₃)₂ (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates

Pengyun Chen, M. Mangir Murshed, Michael Fischer, Thomas Frederichs, Thorsten M. Gesing

Inorg. Chem 59 (2020): 18214–18224

https://doi.org/10.1021/acs.inorgchem.0c02684

We report a detailed structural, spectroscopic, and thermogravimetric investigation of a new series of mixed-alkali rare-earth…

find out more: KLi₂RE(BO₃)₂ (RE = Dy, Ho, Er, Tm, Yb, and Y): Structural, Spectroscopic, And Thermogravimetric Studies on a Series of Mixed-Alkali Rare-Earth Orthoborates

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X-Ray Diffraction|

Crystal structure and temperature-dependent properties of Na₂H₄Ga₂GeO₈ – a novel gallogermanate

Irma Peschke, Lars Robben, Christof Köhler, Thomas Frauenheim, Josef-Christian Buhl, Thorsten M. Gesing

Zeitschrift für Naturforschung B 75 (2020): 9-10

https://doi.org/10.1515/znb-2020-0159

Synthesis, crystal structure and temperature-dependent behavior of Na2H4Ga2GeO8 are reported. This novel…

find out more: Crystal structure and temperature-dependent properties of Na₂H₄Ga₂GeO₈ – a novel gallogermanate

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X-Ray Diffraction|

On the nature of the phase transitions of aluminosilicate perrhenate sodalite

Hilke Petersen, Lars Robben, Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials 235 (2020): 6-7

https://doi.org/10.1515/zkri-2020-0027

The temperature-dependent structure-property relationships of the aluminosilicate perrhenate sodalite |Na8(ReO4)2|[AlSiO4]6 (ReO4-SOD)…

find out more: On the nature of the phase transitions of aluminosilicate perrhenate sodalite

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X-Ray Diffraction|

Low-temperature anharmonicity and symmetry breaking in the sodalite |Na₈I₂|[AlSiO₄]₆

Lars Robben, Isaac Abrahams, Michael Fischer, Stephen Hull, Martin T. Dove und Thorsten M. Gesing

Zeitschrift für Kristallographie - Crystalline Materials (2018) 234, Heft 4

https://doi.org/10.1515/zkri-2018-2122

The aluminosilicate iodide sodalite |Na8I2|[AlSiO4]6 was examined by…

find out more: Low-temperature anharmonicity and symmetry breaking in the sodalite |Na₈I₂|[AlSiO₄]₆

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X-Ray Diffraction|

Temperature-dependent Structural and Spectroscopic Studies of (Bi₁₋ₓFeₓ)FeO₃

Andrea Kirsch, M. Mangir Murshed, Melanie J. Kirkham, Ashfia Huq, F. Jochen Litterst and Thorsten M. Gesing

The Journal of Physical Chemistry C (2018) 122 (49), 28280–28291

https://doi.org/10.1021/acs.jpcc.8b05740

We report on temperature-dependent structural and spectroscopic features of (Bi1–x…

find out more: Temperature-dependent Structural and Spectroscopic Studies of (Bi₁₋ₓFeₓ)FeO₃

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X-Ray Diffraction|

Structural and spectroscopic comparison between polycrystalline, nanocrystalline and quantum dot visible light photo-catalyst Bi₂WO₆

Michael Teck, M. Mangir Murshed, Marco Schowalter, Niels Lefeld, Henrike K. Grossmann, Tim Grieb, Thomas Hartmann, Lars Robben, Andreas Rosenauer, Lutz Mädler, Thorsten M.Gesing

Journal of Solid State Chemistry (2017) 254, 82-89 

https://doi.org/10.1016/j.jssc.2017.07.013

The structural and…

find out more: Structural and spectroscopic comparison between polycrystalline, nanocrystalline and quantum dot visible light photo-catalyst Bi₂WO₆
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