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- Title
Crystal structure solution and high‐temperature thermal expansion in NaZr<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>‐type materials.
- Authors
Hulbert, Benjamin S.; Brodecki, Julia E.; Kriven, Waltraud M.
- Abstract
The NaZr2P3O12 family of materials have shown low and tailorable thermal expansion properties. In this study, SrZr4P6O24 (SrO·4ZrO2·3P2O5), CaZr4P6O24 (CaO·4ZrO2·3P2O5), MgZr4P6O24 (MgO·4ZrO2·3P2O5), NaTi2P3O12 [½(Na2O·4TiO2·3P2O5)], NaZr2P3O12 [½(Na2O·4ZrO2·3P2O5)], and related solid solutions were synthesized using the organic–inorganic steric entrapment method. The samples were characterized by in‐situ high‐temperature X‐ray diffraction from 25 to 1500°C at the Advanced Photon Source and National Synchrotron Light Source II. The average linear thermal expansion of SrZr4P6O24 and CaZr4P6O24 was between −1 × 10−6 per °C and 6 × 10−6 per °C from 25 to 1500°C. The crystal structures of the high‐temperature polymorphs of CaZr4P6O24 and SrZr4P6O24 with R3c symmetry were solved by Fourier difference mapping and Rietveld refinement. This polymorph is present above ∼1250°C. This work measured thermal expansion coefficients to 1500°C for all samples and investigated the differences in thermal expansion mechanisms between polymorphs and between compositions.
- Subjects
THERMAL expansion; CRYSTAL structure; RIETVELD refinement; LIGHT sources; SOLID solutions
- Publication
Acta Crystallographica Section B: Structural Science, Crystal Engineering & Materials, 2024, Vol 80, Issue 2, p146
- ISSN
2052-5192
- Publication type
Article
- DOI
10.1107/S2052520624001598