Na2(UO2)(BO3): An All-Uranium(V) Borate Synthesized under Mild Hydrothermal Conditions
Abstract
The first entirely pentavalent uranium borate, Na2(UO2)(BO3), was synthesized under mild hydrothermal conditions. The single-crystal structure was solved in the orthorhombic space group Cmcm with a = 10.0472(3) Å, b = 6.5942(2) Å, and c = 6.9569(2) Å. Magnetic susceptibility measurements revealed an antiferromagnetic transition at 12 K and an effective magnetic moment of 2.33 μB. Finally, density functional theory calculations indicated dynamic stability of the structure above 0 K.
- Authors:
-
[2];
[3];
[1];
[1]
- Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemistry and Biochemistry; Univ. of South Carolina, Columbia, SC (United States). Center for Hierarchical Wasteform Materials
- Univ. of South Carolina, Columbia, SC (United States). Center for Hierarchical Wasteform Materials; Univ. of South Carolina, Columbia, SC (United States). Dept. of Mechanical Engineering
- Univ. of South Carolina, Columbia, SC (United States). Dept. of Chemical Engineering
- Publication Date:
- Research Org.:
- Energy Frontier Research Centers (EFRC), Washington, D.C. (United States). Center for Hierarchical Waste Form Materials (CHWM)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- OSTI Identifier:
- 1470521
- Grant/Contract Number:
- SC0016574
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Inorganic Chemistry
- Additional Journal Information:
- Journal Volume: 57; Journal Issue: 8; 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; 36 MATERIALS SCIENCE; 75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND SUPERFLUIDITY
Citation Formats
Pace, Kristen A., Kocevski, Vancho, Karakalos, Stavros G., Morrison, Gregory, Besmann, Theodore, and zur Loye, Hans-Conrad. Na2(UO2)(BO3): An All-Uranium(V) Borate Synthesized under Mild Hydrothermal Conditions. United States: N. p., 2018.
Web. doi:10.1021/acs.inorgchem.8b00487.
Pace, Kristen A., Kocevski, Vancho, Karakalos, Stavros G., Morrison, Gregory, Besmann, Theodore, & zur Loye, Hans-Conrad. Na2(UO2)(BO3): An All-Uranium(V) Borate Synthesized under Mild Hydrothermal Conditions. United States. https://doi.org/10.1021/acs.inorgchem.8b00487
Pace, Kristen A., Kocevski, Vancho, Karakalos, Stavros G., Morrison, Gregory, Besmann, Theodore, and zur Loye, Hans-Conrad. Mon .
"Na2(UO2)(BO3): An All-Uranium(V) Borate Synthesized under Mild Hydrothermal Conditions". United States. https://doi.org/10.1021/acs.inorgchem.8b00487. https://www.osti.gov/servlets/purl/1470521.
@article{osti_1470521,
title = {Na2(UO2)(BO3): An All-Uranium(V) Borate Synthesized under Mild Hydrothermal Conditions},
author = {Pace, Kristen A. and Kocevski, Vancho and Karakalos, Stavros G. and Morrison, Gregory and Besmann, Theodore and zur Loye, Hans-Conrad},
abstractNote = {The first entirely pentavalent uranium borate, Na2(UO2)(BO3), was synthesized under mild hydrothermal conditions. The single-crystal structure was solved in the orthorhombic space group Cmcm with a = 10.0472(3) Å, b = 6.5942(2) Å, and c = 6.9569(2) Å. Magnetic susceptibility measurements revealed an antiferromagnetic transition at 12 K and an effective magnetic moment of 2.33 μB. Finally, density functional theory calculations indicated dynamic stability of the structure above 0 K.},
doi = {10.1021/acs.inorgchem.8b00487},
journal = {Inorganic Chemistry},
number = 8,
volume = 57,
place = {United States},
year = {Mon Apr 02 00:00:00 EDT 2018},
month = {Mon Apr 02 00:00:00 EDT 2018}
}
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Works referenced in this record:
Managing the Environmental Legacy of U.S. Nuclear-Weapons Production
journal, January 2002
- Crowley, Kevin; Ahearne, John
- American Scientist, Vol. 90, Issue 6
Divergent Structural Chemistry of Uranyl Borates Obtained from Solid State and Hydrothermal Conditions
journal, October 2017
- Hao, Yucheng; Kegler, Philip; Bosbach, Dirk
- Crystal Growth & Design, Vol. 17, Issue 11
Synthesis and Study of the First Zeolitic Uranium Borate
journal, December 2017
- Hao, Yucheng; Klepov, Vladislav V.; Kegler, Philip
- Crystal Growth & Design, Vol. 18, Issue 1
Polarity and Chirality in Uranyl Borates: Insights into Understanding the Vitrification of Nuclear Waste and the Development of Nonlinear Optical Materials
journal, March 2010
- Wang, Shuao; Alekseev, Evgeny V.; Ling, Jie
- Chemistry of Materials, Vol. 22, Issue 6
High-Pressure Synthesis and Characterization of New Actinide Borates, An B 4 O 8 ( An =Th, U)
journal, October 2013
- Hinteregger, Ernst; Hofer, Thomas S.; Heymann, Gunter
- Chemistry - A European Journal, Vol. 19, Issue 47
Chemistry of uranium (V)
journal, October 1969
- Selbin, Joel; Ortego, J. D.
- Chemical Reviews, Vol. 69, Issue 5
Kinetics and mechanism of the disproportionation of uranium(V)
journal, September 1974
- Ekstrom, A.
- Inorganic Chemistry, Vol. 13, Issue 9
Preparation and crystal structure of NaUO3 and Na11U5O16
journal, November 1970
- Bartram, S. F.; Fryxell, R. E.
- Journal of Inorganic and Nuclear Chemistry, Vol. 32, Issue 11
Powder neutron diffraction study of potassium uranate(V), KUO3
journal, January 1991
- Dickens, Peter G.; Powell, Anthony V.
- Journal of Materials Chemistry, Vol. 1, Issue 1
Antiferromagnetic Ordering in CoU2O6 and NiU2O6
journal, February 1995
- Hinatsu, Yukio
- Journal of Solid State Chemistry, Vol. 114, Issue 2
Single Crystal Growth and Structural Characterization of a Novel Mixed-Valent Ternary Uranium Oxide, K8U7O24
journal, October 2014
- Read, Cory M.; Smith, Mark D.; zur Loye, Hans-Conrad
- Journal of Chemical Crystallography, Vol. 44, Issue 11-12
Flux versus Hydrothermal Growth: Polymorphism of A 2 (UO 2 )Si 2 O 6 (A = Rb, Cs)
journal, January 2017
- Morrison, Gregory; Smith, Mark D.; zur Loye, Hans-Conrad
- Inorganic Chemistry, Vol. 56, Issue 3
Materials Discovery by Flux Crystal Growth: Quaternary and Higher Order Oxides
journal, January 2012
- Bugaris, Daniel E.; zur Loye, Hans-Conrad
- Angewandte Chemie International Edition, Vol. 51, Issue 16
High-Temperature, High-Pressure Hydrothermal Synthesis and Characterization of a Salt-Inclusion Mixed-Valence Uranium(V,VI) Silicate: [Na 9 F 2 ][(U V O 2 )(U VI O 2 ) 2 (Si 2 O 7 ) 2 ]
journal, May 2013
- Chang, Yu-Chih; Chang, Wen-Jung; Boudin, Sophie
- Inorganic Chemistry, Vol. 52, Issue 12
A 3 (U 2 O 4 )(Ge 2 O 7 ) (A=Rb, Cs): Mixed-Valence Uranium(V,VI) Germanates
journal, October 2008
- Lin, Chia-Hui; Lii, Kwang-Hwa
- Angewandte Chemie International Edition, Vol. 47, Issue 45
Cs 2 K(UO) 2 Si 4 O 12 : A Mixed-Valence Uranium(IV,V) Silicate
journal, October 2009
- Lee, Cheng-Shiuan; Wang, Sue-Lein; Lii, Kwang-Hwa
- Journal of the American Chemical Society, Vol. 131, Issue 42
K(UO)Si 2 O 6 : A Pentavalent−Uranium Silicate
journal, September 2005
- Chen, Chih-Shan; Lee, Shang-Fan; Lii, Kwang-Hwa
- Journal of the American Chemical Society, Vol. 127, Issue 35
Cs 3 UGe 7 O 18 : A Pentavalent Uranium Germanate Containing Four- and Six-Coordinate Germanium
journal, March 2012
- Nguyen, Quang Bac; Chen, Chun-Liang; Chiang, Yun-Wei
- Inorganic Chemistry, Vol. 51, Issue 6
K 3 (U 3 O 6 )(Si 2 O 7 ) and Rb 3 (U 3 O 6 )(Ge 2 O 7 ): A Pentavalent-Uranium Silicate and Germanate
journal, June 2008
- Lin, Chia-Hui; Chen, Chih-Shan; Shiryaev, A. A.
- Inorganic Chemistry, Vol. 47, Issue 11
Further Evidence for the Stabilization of U(V) within a Tetraoxo Core
journal, May 2014
- Stritzinger, Jared T.; Alekseev, Evgeny V.; Polinski, Matthew J.
- Inorganic Chemistry, Vol. 53, Issue 10
Ammonium Iron(II,III) Phosphate: Hydrothermal Synthesis and Characterization of NH4Fe2(PO4)2
journal, January 1998
- Boudin, Sophie; Lii, Kwang-Hwa
- Inorganic Chemistry, Vol. 37, Issue 4
Europium valence control in the hydrothermal synthesis of apatites and borosilicates
journal, January 2016
- Heyward, Carla C.; Kimani, Martin M.; Moore, Cheryl A.
- Journal of Alloys and Compounds, Vol. 656
A new low temperature route to uranyl borates with structural variations
journal, January 2013
- Wu, Shijun; Wang, Shuao; Polinski, Matthew J.
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 228, Issue 9
Synthèse et structure du borouranate de lithium LiBUO5
journal, March 1990
- Gasperin, M.
- Acta Crystallographica Section C Crystal Structure Communications, Vol. 46, Issue 3
Synthèse et structure du borouranate de sodium, NaBUO5
journal, March 1988
- Gasperin, M.
- Acta Crystallographica Section C Crystal Structure Communications, Vol. 44, Issue 3
Structure of USbO5: powder neutron diffraction study
journal, January 1992
- Dickens, Peter G.; Stuttard, Garry P.
- Journal of Materials Chemistry, Vol. 2, Issue 7
XPS spectra of the compounds , and
journal, May 2009
- Liu, J. -H.; Van den Berghe, S.; Konstantinović, M. J.
- Journal of Solid State Chemistry, Vol. 182, Issue 5
Atomic many-body effects in the 4f XPS of the U5+ and U4+ cations: part II: consequences of orbital relaxation
journal, July 2007
- Bagus, Paul S.; Ilton, Eugene S.
- Theoretical Chemistry Accounts, Vol. 118, Issue 3
Magnetic Susceptibility of Uranium Complexes
journal, August 2014
- Kindra, Douglas R.; Evans, William J.
- Chemical Reviews, Vol. 114, Issue 18
Application of a Mild Hydrothermal Approach Containing an in Situ Reduction Step to the Growth of Single Crystals of the Quaternary U(IV)-Containing Fluorides Na 4 MU 6 F 30 (M = Mn 2+ , Co 2+ , Ni 2+ , Cu 2+ , and Zn 2+ ) Crystal Growth, Structures, and Magnetic Properties
journal, February 2014
- Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua
- Journal of the American Chemical Society, Vol. 136, Issue 10
Trivalent Cation-Controlled Phase Space of New U(IV) Fluorides, Na 3 MU 6 F 30 (M = Al 3+ , Ga 3+ , Ti 3+ , V 3+ , Cr 3+ , Fe 3+ ): Mild Hydrothermal Synthesis Including an in Situ Reduction Step, Structures, Optical, and Magnetic Properties
journal, January 2015
- Yeon, Jeongho; Smith, Mark D.; Morrison, Gregory
- Inorganic Chemistry, Vol. 54, Issue 4
Mild Hydrothermal Crystal Growth, Structure, and Magnetic Properties of Ternary U(IV) Containing Fluorides: LiUF 5 , KU 2 F 9 , K 7 U 6 F 31 , RbUF 5 , RbU 2 F 9 , and RbU 3 F 13
journal, May 2014
- Yeon, Jeongho; Smith, Mark D.; Tapp, Joshua
- Inorganic Chemistry, Vol. 53, Issue 12
Efficient iterative schemes for ab initio total-energy calculations using a plane-wave basis set
journal, October 1996
- Kresse, G.; Furthmüller, J.
- Physical Review B, Vol. 54, Issue 16, p. 11169-11186
Efficiency of ab-initio total energy calculations for metals and semiconductors using a plane-wave basis set
journal, July 1996
- Kresse, G.; Furthmüller, J.
- Computational Materials Science, Vol. 6, Issue 1, p. 15-50
Projector augmented-wave method
journal, December 1994
- Blöchl, P. E.
- Physical Review B, Vol. 50, Issue 24, p. 17953-17979
From ultrasoft pseudopotentials to the projector augmented-wave method
journal, January 1999
- Kresse, G.; Joubert, D.
- Physical Review B, Vol. 59, Issue 3, p. 1758-1775
Materials Design and Discovery with High-Throughput Density Functional Theory: The Open Quantum Materials Database (OQMD)
journal, September 2013
- Saal, James E.; Kirklin, Scott; Aykol, Muratahan
- JOM, Vol. 65, Issue 11
The Open Quantum Materials Database (OQMD): assessing the accuracy of DFT formation energies
journal, December 2015
- Kirklin, Scott; Saal, James E.; Meredig, Bryce
- npj Computational Materials, Vol. 1, Issue 1
Works referencing / citing this record:
Two-Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions: Two-Dimensional Uranyl Borates: From Conventional to Extreme Synthetic Conditions
journal, January 2020
- Hao, Yucheng; Kegler, Philip; Albrecht-Schmitt, Thomas E.
- European Journal of Inorganic Chemistry, Vol. 2020, Issue 4
Flux crystal growth: a versatile technique to reveal the crystal chemistry of complex uranium oxides
journal, January 2019
- Juillerat, Christian A.; Klepov, Vladislav V.; Morrison, Gregory
- Dalton Transactions, Vol. 48, Issue 10