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Crystal structure solution and high-temperature thermal expansion in NaZr2(PO4)3-type materials.

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.

SUBMITTER: Hulbert BS 

PROVIDER: S-EPMC10994170 | biostudies-literature | 2024 Apr

REPOSITORIES: biostudies-literature

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Crystal structure solution and high-temperature thermal expansion in NaZr<sub>2</sub>(PO<sub>4</sub>)<sub>3</sub>-type materials.

Hulbert Benjamin S BS   Brodecki Julia E JE   Kriven Waltraud M WM  

Acta crystallographica Section B, Structural science, crystal engineering and materials 20240322 Pt 2

The NaZr<sub>2</sub>P<sub>3</sub>O<sub>12</sub> family of materials have shown low and tailorable thermal expansion properties. In this study, SrZr<sub>4</sub>P<sub>6</sub>O<sub>24</sub> (SrO·4ZrO<sub>2</sub>·3P<sub>2</sub>O<sub>5</sub>), CaZr<sub>4</sub>P<sub>6</sub>O<sub>24</sub> (CaO·4ZrO<sub>2</sub>·3P<sub>2</sub>O<sub>5</sub>), MgZr<sub>4</sub>P<sub>6</sub>O<sub>24</sub> (MgO·4ZrO<sub>2</sub>·3P<sub>2</sub>O<sub>5</sub>), NaTi<sub>2</sub>P<sub>3</sub>O<sub>12</sub> [½(Na<sub>2</sub>O·4TiO<s  ...[more]

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