Cation substitution and strain screening in framework structures: The role of rigid unit modes by Goodwin, A, Wells, SA, Dove, M

“…We show that the geometric stress associated with the substitution in these framework silicates is absorbed by rigid-unit type motion of those coordination polyhedra near the substitution site. We find that the inherent flexibility of these structures enables screening of geometric stress, such that the associated energy cost is minimal and unlikely to influence substitution patterns. © 2005 Elsevier B.V. …”

Negative thermal expansion in ZrW2O8: Mechanisms, rigid unit modes, and neutron total scattering by Tucker, MG, Goodwin, A, Dove, M, Keen, D, Wells, SA, Evans, J

“…We obtain, for the first time, quantitative measurements of the extent to which the WO4 and ZrO6 polyhedra move as rigid units, and we show that these values are consistent with the predictions of rigid unit mode theory. …”

Local structure in Ag(3)[Co(CN)(6)]: colossal thermal expansion, rigid unit modes and argentophilic interactions by Conterio, M, Goodwin, A, Tucker, MG, Keen, D, Dove, M, Peters, L, Evans, J

“…We show that the large thermal variations in cell dimensions occur with minimal distortion of the [Co(CN)6 ] coordination polyhedra, but involve significant flexing of the Co-CN-Ag-NC-Co linkages. …”