Acta Crystallographica Section B

Structural Science, Crystal Engineering and Materials

Volume 69, Part 5 (October 2013)

research papers

Acta Cryst. (2013). B69, 439-445    [ doi:10.1107/S2052519213020514 ]

Tolerance factor for pyrochlores and related structures

R. Mouta, R. X. Silva and C. W. A. Paschoal

Abstract: In this work a new empirical tolerance factor for compounds with pyrochlore structure is proposed. This suggested tolerance factor is based on experimental structural data and on the tolerance factors proposed. However, since it does not depend on the structural data, this new tolerance factor permits the prediction of some properties of these compounds directly. Also, a good structure stability field for the pyrochlore formation is observed when this tolerance factor is used.

Keywords: tolerance factor; pyrochlore.

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[ doi:10.1107/S2052519213020514/hw5025sup1.pdf ]
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