Thermal expansion for ZrW2O8 and ZrMo2O8 is analyzed by a multifrequency Einstein model. Vibrational modes that contribute significantly to the thermal expansion are empirically identified. For ZrW2O8, a negative Grüneisen parameter mode is consistent with the observed Raman spectral peak of 40 cm−1. Experimental confirmation of the results is proposed.
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Wang et al. (2000) studied this question.
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