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Structure Analysis of K 3 D(SO 4 ) 2 at Room Temperature

1990; Physical Society of Japan; Volume: 59; Issue: 9 Linguagem: Inglês

10.1143/jpsj.59.3249

1347-4073

Yukio Noda, Hirofumi Kasatani, Yukiho Watanabe, Hikaru Terauchi, K. Gesi,

Nonlinear Optical Materials Research

Structure analysis of K 3 D(SO 4 ) 2 was performed by X-ray diffraction at room temperature. Cell parameters were obtained as a =9.787(3) Å, b =5.682(2) Å, c =14.697(4) Å, β=103.00(2)° with a space group A 2/ a , Z =4. Excess electrons were found on a differential Fourier map around a center of inversion. The structure is isomorphous to that of K 3 H(SO 4 ) 2 reported by Noda et al ., and the deuterium atoms take the disordered state at room temperature. Obtained hydrogen bond character such as R OO =2.519(2) Å and R DD =0.66(8) Å were compared with those of K 3 H(SO 4 ) 2 in connection with a geometrical isotope effect.