High-Pressure Behavior of Silver Fluorides up to 40 GPa
Abstract
A combined experimental–theoretical study of silver(I) and silver(II) fluorides under high pressure is reported. For AgI, the CsCl-type structure is stable to at least 39 GPa; the overtone of the IR-active mode is seen in the Raman spectrum. Its AgIIF2 sibling is a unique compound in many ways: it is more covalent than other known difluorides, crystallizes in a layered structure, and is enormously reactive. Using X-ray diffraction and guided by theoretical calculations (density functional theory), we have been able to elucidate crystal structures of high-pressure polymorphs of AgF2. The transition from ambient pressure to an unprecedented nanotubular structure takes place via an intermediate orthorhombic layered structure, which lacks an inversion center. Here, the observed phase transitions are discussed within the broader framework of the fluorite → cotunnite → Ni2In series, which has been seen for other metal difluorides.
- Authors:
-
[3];
[1]
- Univ. of Warsaw (Poland)
- Univ. of Warsaw (Poland); Cardinal Stefan Wyszyński Univ., Warsaw (Poland)
- Jožef Stefan Inst., Ljubljana (Slovenia)
- Univ. of Chicago, Chicago, IL (United States)
- Carnegie Inst. of Washington, Washington, D.C. (United States)
- Publication Date:
- Research Org.:
- Argonne National Laboratory (ANL), Argonne, IL (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA); National Science Foundation (NSF)
- OSTI Identifier:
- 1416571
- Grant/Contract Number:
- AC02-06CH11357; NA0001974; FG02-94ER14466; EAR-1128799
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 56; Journal Issue: 23; Journal ID: ISSN 0020-1669
- Publisher:
- American Chemical Society (ACS)
- Country of Publication:
- United States
- Language:
- ENGLISH
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; anions; crystal structure; chemical structure; physical and chemical processes; phase transitions
Citation Formats
Grzelak, Adam, Gawraczyński, Jakub, Jaroń, Tomasz, Kurzydłowski, Dominik, Budzianowski, Armand, Mazej, Zoran, Leszczyński, Piotr J., Prakapenka, Vitali B., Derzsi, Mariana, Struzhkin, Viktor V., and Grochala, Wojciech. High-Pressure Behavior of Silver Fluorides up to 40 GPa. United States: N. p., 2017.
Web. doi:10.1021/acs.inorgchem.7b02528.
Grzelak, Adam, Gawraczyński, Jakub, Jaroń, Tomasz, Kurzydłowski, Dominik, Budzianowski, Armand, Mazej, Zoran, Leszczyński, Piotr J., Prakapenka, Vitali B., Derzsi, Mariana, Struzhkin, Viktor V., & Grochala, Wojciech. High-Pressure Behavior of Silver Fluorides up to 40 GPa. United States. https://doi.org/10.1021/acs.inorgchem.7b02528
Grzelak, Adam, Gawraczyński, Jakub, Jaroń, Tomasz, Kurzydłowski, Dominik, Budzianowski, Armand, Mazej, Zoran, Leszczyński, Piotr J., Prakapenka, Vitali B., Derzsi, Mariana, Struzhkin, Viktor V., and Grochala, Wojciech. Wed .
"High-Pressure Behavior of Silver Fluorides up to 40 GPa". United States. https://doi.org/10.1021/acs.inorgchem.7b02528. https://www.osti.gov/servlets/purl/1416571.
@article{osti_1416571,
title = {High-Pressure Behavior of Silver Fluorides up to 40 GPa},
author = {Grzelak, Adam and Gawraczyński, Jakub and Jaroń, Tomasz and Kurzydłowski, Dominik and Budzianowski, Armand and Mazej, Zoran and Leszczyński, Piotr J. and Prakapenka, Vitali B. and Derzsi, Mariana and Struzhkin, Viktor V. and Grochala, Wojciech},
abstractNote = {A combined experimental–theoretical study of silver(I) and silver(II) fluorides under high pressure is reported. For AgI, the CsCl-type structure is stable to at least 39 GPa; the overtone of the IR-active mode is seen in the Raman spectrum. Its AgIIF2 sibling is a unique compound in many ways: it is more covalent than other known difluorides, crystallizes in a layered structure, and is enormously reactive. Using X-ray diffraction and guided by theoretical calculations (density functional theory), we have been able to elucidate crystal structures of high-pressure polymorphs of AgF2. The transition from ambient pressure to an unprecedented nanotubular structure takes place via an intermediate orthorhombic layered structure, which lacks an inversion center. Here, the observed phase transitions are discussed within the broader framework of the fluorite → cotunnite → Ni2In series, which has been seen for other metal difluorides.},
doi = {10.1021/acs.inorgchem.7b02528},
journal = {Inorganic Chemistry},
number = 23,
volume = 56,
place = {United States},
year = {Wed Nov 15 00:00:00 EST 2017},
month = {Wed Nov 15 00:00:00 EST 2017}
}
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