Kp. Holzer et al., SYMMETRY OF THE NORMAL AND LOW-TEMPERATURE PHASE OF BETAINE CALCIUM-CHLORIDE DIHYDRATE AS REVEALED BY CL-35 NMR, Solid state communications, 94(4), 1995, pp. 275-278
Quadrupolar perturbed Cl-35 NMR spectra are measured in the high-tempe
rature normal (N) phase and in tile low-temperature (LT) phase of beta
ine calciumchloride dihydrate (BCCD) single crystals. The electric fie
ld gradient (EFG) tensors at the chlorine sites are precisely determin
ed for both phases. In the N phase, the symmetry of the tensors is in
agreement with the space group Pnma known from X-ray studies. The symm
etry of the tensors in the LT phase allows to exclude the P11a symmetr
y proposed previously and confirms the space group Pn2(1)a derived the
oretically on the assumption that one order parameter drives the phase
transitions in BCCD.