Crystal structure solution and high-temperature thermal expansion in NaZr(PO)-type materials.

Acta Crystallogr B Struct Sci Cryst Eng Mater

Materials Science and Engineering, University of Illinois at Urbana-Champaign, 1304 W. Green St, Urbana, Illinois 61801, USA.

Published: April 2024

The NaZrPO family of materials have shown low and tailorable thermal expansion properties. In this study, SrZrPO (SrO·4ZrO·3PO), CaZrPO (CaO·4ZrO·3PO), MgZrPO (MgO·4ZrO·3PO), NaTiPO [½(NaO·4TiO·3PO)], NaZrPO [½(NaO·4ZrO·3PO)], 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 SrZrPO and CaZrPO was between -1 × 10 per °C and 6 × 10 per °C from 25 to 1500°C. The crystal structures of the high-temperature polymorphs of CaZrPO and SrZrPO 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.

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http://www.ncbi.nlm.nih.gov/pmc/articles/PMC10994170PMC
http://dx.doi.org/10.1107/S2052520624001598DOI Listing

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