S. Krafczyk et al., TWINNING OF CRYSTALS AS A RESULT OF DIFFERENCES BETWEEN SYMMETRICAL AND ENERGETICAL MOST FAVORABLE STRUCTURE ARRANGEMENTS .25., Crystal research and technology, 29(5), 1994, pp. 623-631
It is thought that the building units of crystal structures always ten
d to the highest possible symmetrical arrangements. These arrangements
have not to correspond in every case to the energetical most favourab
le structure. Structures that show this distinct misfit tend to twinni
ng. The examination of pentaerythrite and 1,2,4.5-tetrabromobenzene, t
wo substances usually existing as twins, leads to the finding of struc
tures - by lattice-energy calculations - with a better energy balance,
but are not known yet as autonomous phases. Both cases showed arrange
ments with lower symmetry explaining the transition between the twin i
ndividuals. Following this theory the development of crystal twins is
based on a structural instability caused by the conflict between the m
ore favourable energetical arrangement and the highest available symme
try.