people on Cobraf just dug this 2015 paper by Hagelstein in JCMNS17 on site occupancy in palladium hydrides (alpha and beta phases).
It was partially supported (in which way?) by Industrial heat
http://www.iscmns.org/CMNS/JCMNS-Vol17.pdf#page=72
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O-site and T-site Occupation of α-phase PdHx and PdDx
Abstract
An important study of the solubility of hydrogen in α-phase PdHx and deuterium in α-phase PdDx over a wide temperature range was published by Clewley et al. (J. Chem. Soc., Faraday Trans. 1: Phy. Chem. Condensed Phases 69 (1973) 449–458). An analysis of the data based on an empirical solubility model based on O-site occupation allows for an understanding of the data at low temperature, but probably is not a good starting place for understanding the solubility at high temperature. We have applied a recently developed empirical model for both O-site and T-site occupation to this data set, and find good agreement between data and a basic version of the model which assumes that the O-site and T-site partition functions are taken to be harmonic oscillator partition functions. Even better agreement is obtained when a more realistic O-site partition function is used. A range of optimum models with different assumptions about the T-site partition function is considered, and it is found to be possible to select one that matches the T-site occupation at zero loading inferred from neutron diffraction measurements of Pitt and Gray (Europhys. Let. 64 (2003) 344). The O-site to T-site excitation energy is assumed independent of temperature in these models, and we obtain specific model values of 105.3 meV for α-phase PdDx and 106.5 meV for α-phase PdHx .
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Acknowledgments
Assistance from Florian Metzler is acknowledged, who made use of the online digitizer program WebPlotDigitizer of Ankit Rohagti (http://arohatgi.info/WebPlotDigitizer) to digitize the data sets from Clewley et al. [21]. We would like to thank Industrial Heat for support for some of the research reported here.
