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Crystal structure and phase transitions of strontium zirconium diorthophosphate, SrZr(PO4)2 by Koichiro Fukuda; Akira Moriyama; Shinobu Hashimoto is a Materials Science article available to read on EtoBox.

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The crystal structure of SrZr(PO 4 ) 2 at 298 K was determined from conventional X-ray powder diffraction data using direct methods, and it was further refined by the Rietveld method. The structure was triclinic (space group P % 1; Z 1⁄4 2) with a 1⁄4 0:77508ð4Þ nm, b 1⁄4 0:78887ð5Þ nm, c 1⁄4 0:51251ð3Þ nm, a 1⁄4 95:754ð3Þ , b 1⁄4 90:228ð2Þ , g 1⁄4 92:474ð2Þ , and V 1⁄4 0:31149ð3Þ nm 3 . Final reliability indices were R wp 1⁄4 8:51%; R p 1⁄4 6:07%; and R B 1⁄4 2:46%: The powder specimens were also examined by high-temperature XRD and differential thermal analysis to reveal the occurrence of phase transitions from triclinic to monoclinic at 405 K, then to hexagonal (or trigonal) at 1196 K during heating. Upon cooling, the reverse change of the latter transition occurred at 1175 K. The subsequent monoclinic-to-triclinic transition was martensitic and incomplete during further cooling to 298 K. The monoclinic phase is most probably isostructural with yavapaiite. The present paper has described, for the first time, the higher-and lower-temperature polymorphs of the yavapaiite-type structure.

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Author

Koichiro Fukuda; Akira Moriyama; Shinobu Hashimoto

Publisher

Elsevier Science; Elsevier ; Elsevier Inc.; Elsevier BV (ISSN 0022-4596)

Published

2004

Language

EN

Field

Materials Science (Physical Sciences)