Thermal properties of mullite‐type SnAlBO4 and SnGaBO4

We report on temperature‐dependent structural and spectroscopic properties of two new members of the mullite‐type ceramics SnAlBO4 and SnGaBO4. In‐situ X‐ray powder diffraction (XRPD) demonstrates positive thermal expansion behavior for all orthorhombic lattice parameters between 13 and 840 K. The l...

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Bibliographic Details
Published in:Journal of the American Ceramic Society 2025-02, Vol.108 (2), p.n/a
Main Authors: Wittmann, Sarah, Murshed, M. Mangir, Ghosh, Kowsik, Koldemir, Aylin, Pöttgen, Rainer, Mendive, Cecilia B., Gesing, Thorsten M.
Format: Article
Language:English
Subjects:
Anharmonicity
Debye temperature
Lattice parameters
LEP
Low temperature
Modulation
Mossbauer spectroscopy
Mullite
mullite‐type
Mössbauer spectroscopy
Orthorhombic lattice
Parameter modification
Raman spectra
Raman spectroscopy
SnMBO4
Spectrum analysis
symmetry loss
Temperature dependence
Thermal analysis
Thermal expansion
Thermodynamic properties
WLE
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Summary:We report on temperature‐dependent structural and spectroscopic properties of two new members of the mullite‐type ceramics SnAlBO4 and SnGaBO4. In‐situ X‐ray powder diffraction (XRPD) demonstrates positive thermal expansion behavior for all orthorhombic lattice parameters between 13 and 840 K. The lattice thermal expansion is modeled by Grüneisen first‐order approximation, where the vibrational energy is calculated by the Debye–Einstein–anharmonicity (DEA) approach. Although the thermal changes of the metric parameters do not show any discontinuity, the double‐Debye model and low‐temperature thermal analysis leave hints for subtle displacive changes. Splitting of the tin‐doublets of the 119Sn Mössbauer spectra at low temperature is assumed to be associated with structural modulation although the temperature‐dependent Raman spectra could not support these findings. The modulation could either be dynamic which requires much longer thermal equilibration than the speed of the data collection for XRPD and Raman spectroscopy. Selective Raman mode frequencies are analyzed using a modified Klemens model, which helps to understand the thermal anharmonic behaviors of the SnO4, MO6, and BO3 polyhedra as a function of temperature. Crystal structure of SnAlBO4 showing the constituent AlO6, SnO4, and BO3 coordination. The low‐temperature 119Sn Mössbauer spectrum requires two doublets, indicating possible phase transition.
ISSN:0002-7820
1551-2916
DOI:10.1111/jace.20170