skip to main content
DOE PAGES title logo U.S. Department of Energy
Office of Scientific and Technical Information

This content will become publicly available on September 16, 2020

Title: Flux crystal growth of uranium( v ) containing oxyfluoride perovskites

Abstract

Crystals of three new uranium( v ) containing oxyfluorides were grown out of an alkali fluoride flux and adopt a perovskite-type structure and are examined by SXRD, PXRD, XANES, XPS, EDS, magnetic susceptibility measurements, DFT calculations, and UV-vis spectroscopy.

Authors:
ORCiD logo [1]; ORCiD logo [2]; ORCiD logo [1]; ORCiD logo [3]; ORCiD logo [4]; ORCiD logo [4]; ORCiD logo [2]; ORCiD logo [5]
  1. Department of Chemistry and Biochemistry, University of South Carolina, Columbia, USA, Center for Hierarchical Wasteform Materials (CHWM)
  2. Nuclear Engineering Program, University of South Carolina, Columbia, USA, Center for Hierarchical Wasteform Materials (CHWM)
  3. Department of Chemical Engineering, University of South Carolina, Columbia, USA
  4. Kazuo Inamori School of Engineering, Alfred University, Alfred, USA
  5. Department of Chemistry and Biochemistry, University of South Carolina, Columbia, USA, Nuclear Engineering Program
Publication Date:
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
OSTI Identifier:
1567882
Grant/Contract Number:  
SC0016574; AC02-06CH11357
Resource Type:
Publisher's Accepted Manuscript
Journal Name:
Inorganic Chemistry Frontiers (Online)
Additional Journal Information:
Journal Name: Inorganic Chemistry Frontiers (Online); Journal ID: ISSN 2052-1553
Publisher:
Royal Society of Chemistry (RSC)
Country of Publication:
United Kingdom
Language:
English

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 Kingdom: 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 Kingdom. doi: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. Tue . "Flux crystal growth of uranium( v ) containing oxyfluoride perovskites". United Kingdom. doi:10.1039/C9QI00537D.
@article{osti_1567882,
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 = {Crystals of three new uranium( v ) containing oxyfluorides were grown out of an alkali fluoride flux and adopt a perovskite-type structure and are examined by SXRD, PXRD, XANES, XPS, EDS, magnetic susceptibility measurements, DFT calculations, and UV-vis spectroscopy.},
doi = {10.1039/C9QI00537D},
journal = {Inorganic Chemistry Frontiers (Online)},
number = ,
volume = ,
place = {United Kingdom},
year = {2019},
month = {1}
}

Journal Article:
Free Publicly Available Full Text
This content will become publicly available on September 16, 2020
Publisher's Version of Record

Save / Share:

Works referenced in this record:

Generalized Gradient Approximation Made Simple
journal, October 1996

  • Perdew, John P.; Burke, Kieron; Ernzerhof, Matthias
  • Physical Review Letters, Vol. 77, Issue 18, p. 3865-3868
  • DOI: 10.1103/PhysRevLett.77.3865

Projector augmented-wave method
journal, December 1994


From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999


Electron-energy-loss spectra and the structural stability of nickel oxide: An LSDA+U study
journal, January 1998

  • Dudarev, S. L.; Botton, G. A.; Savrasov, S. Y.
  • Physical Review B, Vol. 57, Issue 3, p. 1505-1509
  • DOI: 10.1103/PhysRevB.57.1505

SHELXT – Integrated space-group and crystal-structure determination
journal, January 2015

  • Sheldrick, George M.
  • Acta Crystallographica Section A Foundations and Advances, Vol. 71, Issue 1, p. 3-8
  • DOI: 10.1107/S2053273314026370

Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996


Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996


Crystal structure refinement with SHELXL
journal, January 2015

  • Sheldrick, George M.
  • Acta Crystallographica Section C Structural Chemistry, Vol. 71, Issue 1, p. 3-8
  • DOI: 10.1107/S2053229614024218