Absolute optical rotation of CsLiB6O10

Abstract

The optical rotation (OR) of CsLiB6O10 (CLBO, space group I\bar{4}2d) along the a axis has been determined by the HAUP method [Kobayashi & Uesu (1983). J Appl. Cryst. 16, 204–211] at a wavelength of 632.8 nm and by the TILTER method [Kaminsky & Glazer (1996). Ferroelectrics, 183, 133–141] at 532 nm and 650 nm. The respective rotatory powers were found to be 17 (1), 24 (2) and 19 (2)° mm−1. The absolute chirality has been established by comparing Bijvoet differences, {hkl} and {k\bar{h}l}, on the same crystal on which OR was measured. Atomic positions and electron density Fourier peak heights were exploited as input for semi-empirical calculations of refractive indices and OR, using WinOPTACT [Glazer (2002). J. Appl. Cryst. 35, 652] with only one free parameter fitted to match the average refractive index.