Abstract
Betaine borate undergoes a phase transition of strongly second order at 142.5 K. Crystals below this temperature belong to the ferroelastic Aizu species mmmF2/m. The crystal structures of both phases have been determined. Paraelastic phase: Pmcn,a=7.769(1),b=9.873(2),c=11.974(2)A,Z=4,T=293K,R=0.041 for 519 unique observed reflections. Ferroelastic phase: P21/c,a=7.615(5),b=9.872(3),c=11.947(5)A, β=92.98(8)°,Z=4,T=130K,R=0.083 for 507 unique observed reflections. In both structures the betaine molecules are connected to B(OH)3-groups via hydrogen bonds to form chains running parallel[001]. These chains are associated to each other by van der Waals forces.
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