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A neutron powder diffraction determination of the thermal expansion tensor of crocoite (PbCrO4) between 60 K and 290 K

Published online by Cambridge University Press:  05 July 2018

Kevin S. Knight
Kevin S. Knight*
Affiliation:
ISIS Science Division, Rutherford Appleton Laboratory, Chilton, Didcot, Oxfordshire, OXI1 0QX UK
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Abstract

The thermal expansion tensor of crocoite has been determined from high-resolution neutron time-of-flight powder diffraction data. The temperature dependence of the lattice constants between 4.5 K and 290 K have been fitted to a quasi-harmonic Einstein model, and the temperature dependence of the thermal expansion tensor has been calculated for 60 K ≤ T ≤ 290 K. The magnitudes of the principal expansivities and their orientation exhibit saturation behaviour for temperatures above 300 K. The predicted saturated expansion coefficients are α11 = 33.1(1) × 10−6K−1, α22 = 15.72(3) × 10−6K−1, α33 = 3.36(1) × 10−6K−1, with α22 parallel to b and α11 lying at an angle of −37.86(5)° to c for the P21/n setting of the crystal structure. The direction of maximum expansion is approximately parallel to both and the least-squares line passing through the projection of the chromium atoms on (010). The direction of minimum expansion lies approximately parallel to [101]. No evidence was found for either a structural or magnetic phase transition between 4.5 K and 300 K.

Keywords

crocoitethermal expansivityneutron diffractionPbCrO4
Type
Mineralogy
Information
Mineralogical Magazine , Volume 60 , Issue 403 , December 1996 , pp. 963 - 972
Copyright
Copyright © The Mineralogical Society of Great Britain and Ireland 1996

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