Hydrogen-Bond Network in Ferroelectric Lithium Trihydrogen Selenite, LiD_3(SeO_3)_2 by Deuteron Magnetic Resonance

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Deuteron magnetic resonance study is made of single crystals of LiD_3(SeO_3)_2 between -143℃ and 110℃. The electric quadrupole coupling constant, eQq/h, the asymmetry parameter, η, and the directions of the principal axes of the field-gradient tensor are determined for each deuteron at room temperature. Three non-equivalent tensors are corresponding to the three non-equivalent fairly strong hydrogen bonds determined by X-ray diffraction. The eQq/h and η are 107.8kc/sec and 0.172 for D_a, 127.9kc/sec and 0.154 for D_b, and 181.1kc/sec and 0.101 for D_c, The hydrogen-bond network in LiDd(SeO_3)_2 is determined. The atomic coordinates of deuterons are estimated from the results of the present DMR study. The field-gradient tensor of ^7Li is also determined at room temperature. The values of eQq/h and η are 33.9kc/sec and 0.593.
社団法人日本物理学会の論文
1969-03-05