Flux crystal growth of uranium(v) containing oxyfluoride perovskites
Abstract
The novel phases Rb4NaU3O12-xFx (1), K4NaU3O12-xFx (2), and Rb2.1K1.9KU3O12-xFx (3) were synthesized by molten flux methods using mixed alkali fluoride melts. The oxyfluorides crystallize in the cubic space group Im[3 with combining macron]m with a lattice parameters of 8.7472(2) Å, 8.6264(2) Å, and 8.8390(3) Å, respectively. All three structures crystallize in a cubic perovskite structure, ABO3 (A4BB'3O12), where the A site is fully occupied by an alkali cation, and the B site is shared by the remaining smaller alkali cation and uranium in an ordered fashion such that the alkali cation on the B site is surrounded by square uranyl bipyramids. The structures were characterized by single crystal X-ray diffraction, energy dispersive spectroscopy, X-ray absorption near edge structure spectroscopy, X-ray photoelectron spectroscopy, magnetic susceptibility measurements, DFT calculations, thermogravimetric analysis, and UV-vis spectroscopy, all of which support the presence of U(V) in the three new materials.
- Authors:
-
[1];
[1];
[1];
[1];
[2];
[2];
[1];
[1]
- Univ. of South Carolina, Columbia, SC (United States)
- Alfred Univ., NY (United States)
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC) (United States). Center for Hierarchical Waste Form Materials (CHWM); Argonne National Laboratory (ANL), Argonne, IL (United States); Univ. of South Carolina, Columbia, SC (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1767703
- Alternate Identifier(s):
- OSTI ID: 1567882
- Grant/Contract Number:
- SC0016574; AC02-06CH11357
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry Frontiers (Online)
- Additional Journal Information:
- Journal Name: Inorganic Chemistry Frontiers (Online); Journal Volume: 6; Journal Issue: 11; Journal ID: ISSN 2052-1553
- Publisher:
- Royal Society of Chemistry
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY; nuclear; materials and chemistry by design; synthesis (novel materials); synthesis (predictive)
Citation Formats
Juillerat, Christian A., Kocevski, Vancho, Morrison, Gregory, Karakalos, Stavros G., Patil, Deepak, Misture, Scott T., Besmann, Theodore M., and zur Loye, Hans-Conrad. Flux crystal growth of uranium(v) containing oxyfluoride perovskites. United States: N. p., 2019.
Web. doi:10.1039/c9qi00537d.
Juillerat, Christian A., Kocevski, Vancho, Morrison, Gregory, Karakalos, Stavros G., Patil, Deepak, Misture, Scott T., Besmann, Theodore M., & zur Loye, Hans-Conrad. Flux crystal growth of uranium(v) containing oxyfluoride perovskites. United States. https://doi.org/10.1039/c9qi00537d
Juillerat, Christian A., Kocevski, Vancho, Morrison, Gregory, Karakalos, Stavros G., Patil, Deepak, Misture, Scott T., Besmann, Theodore M., and zur Loye, Hans-Conrad. Mon .
"Flux crystal growth of uranium(v) containing oxyfluoride perovskites". United States. https://doi.org/10.1039/c9qi00537d. https://www.osti.gov/servlets/purl/1767703.
@article{osti_1767703,
title = {Flux crystal growth of uranium(v) containing oxyfluoride perovskites},
author = {Juillerat, Christian A. and Kocevski, Vancho and Morrison, Gregory and Karakalos, Stavros G. and Patil, Deepak and Misture, Scott T. and Besmann, Theodore M. and zur Loye, Hans-Conrad},
abstractNote = {The novel phases Rb4NaU3O12-xFx (1), K4NaU3O12-xFx (2), and Rb2.1K1.9KU3O12-xFx (3) were synthesized by molten flux methods using mixed alkali fluoride melts. The oxyfluorides crystallize in the cubic space group Im[3 with combining macron]m with a lattice parameters of 8.7472(2) Å, 8.6264(2) Å, and 8.8390(3) Å, respectively. All three structures crystallize in a cubic perovskite structure, ABO3 (A4BB'3O12), where the A site is fully occupied by an alkali cation, and the B site is shared by the remaining smaller alkali cation and uranium in an ordered fashion such that the alkali cation on the B site is surrounded by square uranyl bipyramids. The structures were characterized by single crystal X-ray diffraction, energy dispersive spectroscopy, X-ray absorption near edge structure spectroscopy, X-ray photoelectron spectroscopy, magnetic susceptibility measurements, DFT calculations, thermogravimetric analysis, and UV-vis spectroscopy, all of which support the presence of U(V) in the three new materials.},
doi = {10.1039/c9qi00537d},
journal = {Inorganic Chemistry Frontiers (Online)},
number = 11,
volume = 6,
place = {United States},
year = {Mon Sep 16 00:00:00 EDT 2019},
month = {Mon Sep 16 00:00:00 EDT 2019}
}
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Works referencing / citing this record:
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