Commensurately modulated 1/4 and 1/5 phases of deuterated betaine calcium chloride dihydrate: a neutron structural study

The structures of the commensurate 1/4 and 1/5 phases of the displacively modulated compound D-BCCD [deuterated betaine (trimethylammonioacetate) calcium chloride dihydrate, i.e. (CD₃)₃NCD₂COOCaCl₂(D₂O)₂ or CaCl₂^.C₅D₁₁NO₂^.2D₂O] have been determined by single-crystal neutron diffraction at 100 and 68 K, respectively. The structural model of the 1/4 phase is found to be quite different from that obtained previously from X-ray diffraction data of the hydrogenated compound.

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