The inherent displacive flexibility of the hexacelsian tetrahedral framework and its relationship to polymorphism in Ba-hexacelsian
The results of a rigid unit mode (RUM) analysis of the inherent displacive structural flexibility of the tetrahedral framework of the ideal hexacelsian structure type are presented. One of the three types of RUM found to exist is characterized by modulation wave vectors perpendicular to 〈110〉 and atomic displacement patterns involving tetrahedral rotation around the parent c axis while a second type of RUM is found to be soft at any modulation wave vector and to involve tetrahedral rotation...[Show more]
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