Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature
Abstract
Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, α-Sb2O3 (senarmontite) and β-Sb2O3 (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the α-β phase transformation and their potential anharmonicity. However, there has not been any direct investigation of anharmonicity in these systems, and a surprising lack of low-temperature structural information has prevented further study. Here, we report the powder neutron diffraction data of both phases of Sb2O3, as well as structural information. α-Sb2O3 behaved as expected, but β-Sb2O3 revealed a small region of zero thermal expansion along the c axis. Additionally, while the β phase matched well with reported atomic displacement parameters, the α phase displayed a marked deviation. This data will enable further investigations into these systems.
- Authors:
-
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States)
- Publication Date:
- Research Org.:
- Oak Ridge National Lab. (ORNL), Oak Ridge, TN (United States). Spallation Neutron Source (SNS)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES). Materials Sciences & Engineering Division (MSE); USDOE Office of Science (SC), Basic Energy Sciences (BES). Scientific User Facilities (SUF)
- OSTI Identifier:
- 1972567
- Grant/Contract Number:
- AC05-00OR22725
- Resource Type:
- Accepted Manuscript
- Journal Name:
- Crystals
- Additional Journal Information:
- Journal Volume: 13; Journal Issue: 5; Journal ID: ISSN 2073-4352
- Publisher:
- MDPI
- Country of Publication:
- United States
- Language:
- English
- Subject:
- 36 MATERIALS SCIENCE; mixed valence; powder diffraction; anharmonicity; low temperature
Citation Formats
Moseley, Duncan H., Bridges, Craig A., Daemen, Luke L., Zhang, Qiang, McGuire, Michael A., Cakmak, Ercan, and Hermann, Raphaël P. Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature. United States: N. p., 2023.
Web. doi:10.3390/cryst13050752.
Moseley, Duncan H., Bridges, Craig A., Daemen, Luke L., Zhang, Qiang, McGuire, Michael A., Cakmak, Ercan, & Hermann, Raphaël P. Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature. United States. https://doi.org/10.3390/cryst13050752
Moseley, Duncan H., Bridges, Craig A., Daemen, Luke L., Zhang, Qiang, McGuire, Michael A., Cakmak, Ercan, and Hermann, Raphaël P. Mon .
"Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature". United States. https://doi.org/10.3390/cryst13050752. https://www.osti.gov/servlets/purl/1972567.
@article{osti_1972567,
title = {Structure and Anharmonicity of α- and β-Sb2O3 at Low Temperature},
author = {Moseley, Duncan H. and Bridges, Craig A. and Daemen, Luke L. and Zhang, Qiang and McGuire, Michael A. and Cakmak, Ercan and Hermann, Raphaël P.},
abstractNote = {Antimony oxides are important materials for catalysis and flame-retardant applications. The two most common phases, α-Sb2O3 (senarmontite) and β-Sb2O3 (valentinite), have been studied extensively. Specific focus has been placed recently on their lattice dynamics properties and how they relate to the α-β phase transformation and their potential anharmonicity. However, there has not been any direct investigation of anharmonicity in these systems, and a surprising lack of low-temperature structural information has prevented further study. Here, we report the powder neutron diffraction data of both phases of Sb2O3, as well as structural information. α-Sb2O3 behaved as expected, but β-Sb2O3 revealed a small region of zero thermal expansion along the c axis. Additionally, while the β phase matched well with reported atomic displacement parameters, the α phase displayed a marked deviation. This data will enable further investigations into these systems.},
doi = {10.3390/cryst13050752},
journal = {Crystals},
number = 5,
volume = 13,
place = {United States},
year = {Mon May 01 00:00:00 EDT 2023},
month = {Mon May 01 00:00:00 EDT 2023}
}
Works referenced in this record:
Antimony Trioxide as an Efficient Lewis Acid Catalyst for the Synthesis of 5-Substituted 1H-Tetrazoles
journal, January 2009
- Venkateshwarlu, G.; Rajanna, K. C.; Saiprakash, P. K.
- Synthetic Communications, Vol. 39, Issue 3
On the accurate bond-valence parameters for the Sb3+/O2−ion pair
journal, May 2010
- Sidey, Vasyl
- Acta Crystallographica Section B Structural Science, Vol. 66, Issue 3
Thermal phase transitions in antimony (III) oxides
journal, September 2007
- Orman, R. G.; Holland, D.
- Journal of Solid State Chemistry, Vol. 180, Issue 9
POWGEN: rebuild of a third-generation powder diffractometer at the Spallation Neutron Source
journal, October 2019
- Huq, Ashfia; Kirkham, Melanie; Peterson, Peter F.
- Journal of Applied Crystallography, Vol. 52, Issue 5
Photoluminescence and Raman spectroscopic investigations of morphology assisted effects in Sb2O3
journal, May 2009
- Naidu, B. S.; Pandey, M.; Sudarsan, V.
- Chemical Physics Letters, Vol. 474, Issue 1-3
High-pressure and low-temperature structural study of claudetite I, a monoclinic layered As2O3polymorph
journal, January 2021
- Guńka, Piotr A.; Hanfland, Michael; Chen, Yu-Sheng
- CrystEngComm, Vol. 23, Issue 3
Sublimation-controlled oxidation of antimony trioxide
journal, February 1988
- Centers, Phillip W.
- Journal of Solid State Chemistry, Vol. 72, Issue 2
Two-dimensional inorganic molecular crystals
journal, October 2019
- Han, Wei; Huang, Pu; Li, Liang
- Nature Communications, Vol. 10, Issue 1
Studies on antimony oxides: Part I
journal, June 1975
- Agrawal, Y. K.; Shashimohan, A. L.; Biswas, A. B.
- Journal of Thermal Analysis, Vol. 7, Issue 3
Kinetics and mechanism of the transformation in antimony trioxide from orthorhombic valentinite to cubic senarmontite
journal, September 1975
- Gopalakrishnan, P. S.; Manohar, H.
- Journal of Solid State Chemistry, Vol. 15, Issue 1
High-pressure polymorphism of As 2 O 3 and Sb 2 O 3
journal, December 1967
- White, William B.; Dachille, Frank; Roy, Rustum
- Zeitschrift für Kristallographie, Vol. 125, Issue 125
Recent advances in magnetic structure determination by neutron powder diffraction
journal, October 1993
- Rodríguez-Carvajal, Juan
- Physica B: Condensed Matter, Vol. 192, Issue 1-2
Structural investigations on solid tetraphosphorus hexaoxide
journal, December 1984
- Jansen, M.; Moebs, M.
- Inorganic Chemistry, Vol. 23, Issue 26
The Crystal Structures of the Cubic Forms of Arsenious and Antimonous Oxides
journal, July 1923
- Bozorth, Richard M.
- Journal of the American Chemical Society, Vol. 45, Issue 7
Novel simple methods for the synthesis of single-phase valentinite Sb2O3
journal, August 2014
- Vuković, M.; Branković, Z.; Poleti, D.
- Journal of Sol-Gel Science and Technology, Vol. 72, Issue 3
Effect of the Sb2O3 catalyst on the solid-state postpolycondensation of poly(ethylene terephthalate)
journal, January 1995
- Kokkalas, Demetris E.; Bikiaris, Demetris N.; Karayannidis, George P.
- Journal of Applied Polymer Science, Vol. 55, Issue 5
Enhanced Electrochemical Performance of Sb2O3 as an Anode for Lithium-Ion Batteries by a Stable Cross-Linked Binder
journal, June 2019
- Liu, Yong; Wang, Haichao; Yang, Keke
- Applied Sciences, Vol. 9, Issue 13
Nonlinear optical susceptibilities of high‐index glasses
journal, April 1989
- Hall, D. W.; Newhouse, M. A.; Borrelli, N. F.
- Applied Physics Letters, Vol. 54, Issue 14
Thermal stability and phase transitions of the oxides of antimony
journal, December 1981
- Golunski, S. E.; Nevell, T. G.; Pope, M. I.
- Thermochimica Acta, Vol. 51, Issue 2-3
A New Allotropic Form of Bi2O3
journal, January 1998
- Kumada, N.; Kinomura, N.
- MRS Proceedings, Vol. 547
Glasses formation, characterization, and crystal-structure determination in the Bi2O3–Sb2O3–TeO2 system prepared in an air
journal, August 2011
- Chagraoui, Abdeslam; Yakine, Imane; Tairi, Abdelmjid
- Journal of Materials Science, Vol. 46, Issue 16
An Investigation of Antimony Oxide as an Opacifier for Porcelain Enamels and Glass
journal, August 1952
- Pavlish, A. E.; O'Bannon, L. S.
- Science, Vol. 116, Issue 3008
Vibrational and thermal study of antimony oxides
journal, June 1979
- Cody, C. A.; DiCarlo, L.; Darlington, R. K.
- Inorganic Chemistry, Vol. 18, Issue 6
New ε-Bi 2 O 3 Metastable Polymorph
journal, June 2006
- Cornei, Nicoleta; Tancret, Nathalie; Abraham, Francis
- Inorganic Chemistry, Vol. 45, Issue 13
Expression and interactions of stereochemically active lone pairs and their relation to structural distortions and thermal conductivity
journal, March 2020
- Tolborg, Kasper; Gatti, Carlo; Iversen, Bo B.
- IUCrJ, Vol. 7, Issue 3
THE ANTIMONY-ANTIMONY TRIOXIDE ELECTRODE AND ITS USE AS A MEASURE OF ACIDITY 1
journal, August 1928
- Roberts, E. J.; Fenwick, F.
- Journal of the American Chemical Society, Vol. 50, Issue 8
Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide
journal, June 2015
- Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael
- Crystal Growth & Design, Vol. 15, Issue 8
Unveiling the role of the lone electron pair in sesquioxides at high pressure: compressibility of β-Sb2O3
journal, January 2021
- Sans, Juan Angel; Manjón, Francisco Javier; Pereira, André Luis de Jesus
- Dalton Transactions, Vol. 50, Issue 16
Special features of the crystal structure of bismuth oxides
journal, January 1973
- Zav'yalova, A. A.; Imamov, R. M.
- Journal of Structural Chemistry, Vol. 13, Issue 5
Visible and far-infrared spectroscopic studies of Co-doped (80– x )Sb 2 O 3 –20Na 2 O– x WO 3 glasses
journal, April 2012
- Petkova, P.; Soltani, M. T.; Petkov, S.
- Physica Scripta, Vol. T149
Phonon Spectroscopy in Antimony and Tellurium Oxides
journal, September 2020
- Jafari, Atefeh; Klobes, Benedikt; Sergueev, Ilya
- The Journal of Physical Chemistry A, Vol. 124, Issue 39
Structure determination, valence, and superexchange in the dimerized low temperature phase of α ′ - NaV 2 O 5
journal, June 2001
- Bernert, A.; Chatterji, T.; Thalmeier, P.
- The European Physical Journal B, Vol. 21, Issue 4
Lone pair electrons minimize lattice thermal conductivity
journal, January 2013
- Nielsen, Michele D.; Ozolins, Vidvuds; Heremans, Joseph P.
- Energy Environ. Sci., Vol. 6, Issue 2
Revised values of the bond valence parameters for [6]Sb(V)–O and [3–11]Sb(III)–O
journal, September 2009
- Mills, Stuart James; Christy, Andrew G.; Chen, Emily C. -C
- Zeitschrift für Kristallographie, Vol. 224, Issue 9
Charge density analysis of two polymorphs of antimony(iii) oxide
journal, January 2004
- Whitten, Andrew E.; Dittrich, Birger; Spackman, Mark A.
- Dalton Transactions, Issue 1
Strukturverfeinerung von Kubischem As2O3 (Arsenolith) mit Einkristalldaten
journal, February 1978
- Pertlik, F.
- Czechoslovak Journal of Physics, Vol. 28, Issue 2
The Crystal Structure of Valentinite (Orthorhombic Sb 2 O 3 ) 1 )
journal, November 1938
- Buerger, M. J.; Hendricks, Sterling B.
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 98, Issue 1-6
Stereochemistry of post-transition metal oxides: revision of the classical lone pair model
journal, January 2011
- Walsh, Aron; Payne, David J.; Egdell, Russell G.
- Chemical Society Reviews, Vol. 40, Issue 9
The enantiotropic phase transition of antimony(III) oxide
journal, April 1987
- Jones, S. A.; Fenerty, J.; Pearce, J.
- Thermochimica Acta, Vol. 114, Issue 1
Structure of a new high-pressure–high-temperature modification of antimony(III) oxide, γ-Sb 2 O 3 , from high-resolution synchrotron powder diffraction data
journal, January 2012
- Orosel, Denis; Dinnebier, Robert E.; Blatov, Vladislav A.
- Acta Crystallographica Section B Structural Science, Vol. 68, Issue 1
Revised Tl(I)–O bond valence parameters and the structures of thallous dichromate and thallous uranyl phosphate hydrate
journal, May 2004
- Locock, Andrew J.; Burns, Peter C.
- Zeitschrift für Kristallographie - Crystalline Materials, Vol. 219, Issue 5