journal article·2021-12-15Open access

Observation of a New Polyhalide Phase in Ag-Cl2 System at High Pressure

Adam Grzelak, Jakub Gawraczyński, Mariana Derzsi, Viktor Struzhkin, Maddury Somayazulu, Wojciech Grochala

Crystals· Volume 11· Issue 12

Abstract

In this short contribution, we examine Raman spectroscopic data from high-pressure and high-temperature experiments with an Ag-Cl2 system, and find that they are in good agreement with previously observed and calculated spectra of polychloride species. Our results imply the formation of a hitherto unknown AgClx compound, which warrants further study.
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Research context

OpenAlex topics: Solid-state spectroscopy and crystallography · Crystallography and molecular interactions · Crystal Structures and Properties

SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.

Affiliations

Center of New Technologies, University of Warsaw, 02-089 Warsaw, Poland

Advanced Technologies Research Institute, Faculty of Materials Science and Technology in Trnava, Slovak University of Technology in Bratislava, 917 24 Trnava, Slovakia

Center for High Pressure Science and Technology Advanced Research, Shanghai 201203, China

HPCAT, X-ray Science Division, Argonne National Laboratory, Lemont, IL 60439, USA

Funding

National Science Center · Slovak Research and Development Agency · Scientific Grant Agency of the Slovak Republic · Research and Innovation Operational Programme

References (45)

Show source-provided references
1. Silverland: The Realm of Compounds of Divalent Silver—And Why They are Interesting10.1007/s10948-017-4326-8 ↗
2. Silver route to cuprate analogs10.1073/pnas.1812857116 ↗
3. Mazej, Z., Kurzydłowski, D., and Grochala, W. (2016). Unique Silver(II) Fluorides: The Emerging Electronic and Magnetic Materials. Photonic and Electronic Properties of Fluoride Materials: Progress in Fluorine Science Series, Elsevier.10.1016/B978-0-12-801639-8.00012-X ↗
4. Structure−Property Relations and Diffusion Pathways of the Silver Ion Conductor Ag5Te2Cl10.1021/cm031131c ↗
5. New Ag(F1−XClx) phases for energy storage applications10.1016/j.jfluchem.2014.09.004 ↗
6. The Crystal Structure of Silver Tetrachloroaurate(III) AgAuCl4 and Its Crystal Chemical Relationship to the Rubidium Tetrachloroaurate(III) RbAuCl4
7. Crystal structures of the tetrachloridoaluminates(III) of rubidium(I), silver(I), and lead(II)
8. Über Chloroargentate(I): CsAgCl2 und schwarzes CsAgCl2+X10.1002/zaac.19834970219 ↗
9. Crystal structures and ionic conductivities of ternary derivatives of the silver and copper monohalides—II: Ordered phases within the (AgX)x−(MX)1−X and (CuX)x−(MX)1−x (M = K, Rb and Cs; X = Cl, Br and I) systems10.1016/j.jssc.2004.05.004 ↗
10. Dirubidiumcatena-poly[dichloroargentate(I)-μ-chloro]10.1107/S0108270199006277 ↗
11. Cs2AgIAgIIICl6. Eine gemischtvalente Verbindung mit dreiwertigem Silber10.1002/zaac.19905890102 ↗
12. Electronic structure of mixed-valence silver oxide AgO from hybrid density-functional theory10.1103/PhysRevB.81.161103 ↗
13. Magnetic properties and crystalline structure of AgO10.1016/0022-1902(60)80231-X ↗
14. Persistence of Mixed and Non-intermediate Valence in the High-Pressure Structure of Silver(I,III) Oxide, AgO: A Combined Raman, X-ray Diffraction (XRD), and Density Functional Theory (DFT) Study10.1021/acs.inorgchem.7b00405 ↗
15. Derzsi, M., Grzelak, A., Kondratiuk, P., Tokár, K., and Grochala, W. (2019). Quest for Compounds at the Verge of Charge Transfer Instabilities: The Case of Silver(II) Chloride. Crystals, 9.10.3390/cryst9080423 ↗
16. Ag6Cl4: The first silver chloride with rare Ag6 clusters from an ab initio study10.1039/D1CC03426J ↗
17. Unexpected Stable Stoichiometries of Sodium Chlorides10.1126/science.1244989 ↗
18. Unusual electronic and mechanical properties of sodium chlorides at high pressures10.1016/j.physleta.2016.02.036 ↗
19. Stability of numerous novel potassium chlorides at high pressure10.1038/srep26265 ↗
20. Revised effective ionic radii and systematic studies of interatomic distances in halides and chalcogenides10.1107/S0567739476001551 ↗
21. Polyhalogen and Polyinterhalogen Anions from Fluorine to Iodine10.1002/anie.201903197 ↗
22. Toward an international practical pressure scale: A proposal for an IPPS ruby gauge (IPPS-Ruby2020)10.1080/08957959.2020.1791107 ↗
23. Pressure calibration of diamond anvil Raman gauge to 410 GPa10.1088/1742-6596/215/1/012195 ↗
24. Ab initiomolecular dynamics for liquid metals10.1103/PhysRevB.47.558 ↗
25. Ab initiomolecular-dynamics simulation of the liquid-metal–amorphous-semiconductor transition in germanium10.1103/PhysRevB.49.14251 ↗
26. Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set10.1016/0927-0256(96)00008-0 ↗
27. Efficient iterative schemes forab initiototal-energy calculations using a plane-wave basis set10.1103/PhysRevB.54.11169 ↗
28. From ultrasoft pseudopotentials to the projector augmented-wave method10.1103/PhysRevB.59.1758 ↗
29. Restoring the Density-Gradient Expansion for Exchange in Solids and Surfaces10.1103/PhysRevLett.100.136406 ↗
30. Structure of solid chlorine at 1.45 GPa10.1515/zkri-2018-2145 ↗
31. Polarized Raman spectra of silver halide crystals10.1103/PhysRevB.9.789 ↗
32. Micro-Raman Characterisation of Silver Corrosion Products: Instrumental Set Up and Reference
33. Pressure-induced phase transitions in AgCl, AgBr, and AgI10.1103/PhysRevB.59.750 ↗
34. High-Pressure Behavior of Silver Fluorides up to 40 GPa10.1021/acs.inorgchem.7b02528 ↗
35. Effect of pressure on Raman spectra of solid chlorine10.1088/0022-3719/16/33/001 ↗
36. Raman spectrum of NiCl210.1088/0022-3719/12/17/031 ↗
37. High-temperature magnetostructural transition in van der Waals-layered α−MoCl310.1103/PhysRevMaterials.1.064001 ↗
38. Mechanical exfoliation and layer number identification of single crystal monoclinic CrCl310.1088/1361-6528/ab7de6 ↗
39. Somayazulu, M., Gramsch, S., Mao, H.-K., and Hemley, R. (2006). High Pressure-High Temperature Reactions in Xenon-Chlorine System. Proceedings of the MRS Proceedings, Springer Science and Business Media LLC.10.1557/PROC-987-0987-PP04-07 ↗
40. Characterization of chlorinated chemical vapor deposited and natural (100) diamond10.1016/S0039-6028(99)00197-1 ↗
41. Carbon tetrachloride under extreme conditions10.1063/1.4876220 ↗
42. Polychloride Monoanions from [Cl3]− to [Cl9]−: A Raman Spectroscopic and Quantum Chemical Investigation10.1002/chem.201103659 ↗
43. A 2D Polychloride Network Held Together by Halogen-Halogen Interactions10.1002/anie.201507948 ↗
44. Recent Discoveries of Polyhalogen Anions—From Bromine to Fluorine10.1002/zaac.201400085 ↗
45. Uhliar, M., Tokár, K., Kohulák, O., and Derzsi, M. (2020, January 10–20). Exploring crystal chemistry of binary silver chlorides with evolutionary algorithms and density functional theory. Proceedings of the 2nd International Online Conference on Crystals, Online.10.3390/IOCC_2020-07332 ↗