Abstract
The crystal structure of Cd(OH)Cl crystallizes in its own structure type which is intimately related to the layer structures of cadmium hydroxide and cadmium chloride. The hydrogen position of this structure type, however, is not yet completely clear. We performed single-crystal X-Ray diffraction of Cd(OH)Cl on a modern κ-CCD diffractometer, TOF neutron diffraction experiments with an annular cylindrical sample of Cd(OD)Cl, temperature-dependent 2H-NMR-spectroscopy and quantum mechanical calculations to reinvestigate the crystal structure with full information about the H-position, H-bonding and hydroxide dynamics. The results show that the hydrogen position is near a three-fold axis, that only small angle librations occur and that the amount of hydrogen bonding can be neglected.
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