X-Ray Structural Study of Ferroelectric Cesium Dihydrogen Phosphate at Room Temperature

Abstract

The atomic coordinates and the anisotropic thermal parameters of CsH 2 PO 4 crystal in the paraelectric phase have been obtained using three-dimensional X-ray intensity data collected by a four-circle automatic diffractometer at room temperature. The structure is refined to R =0.029 for 780 independent reflections. Two types of hydrogen bonds are clearly distinguished in the electron density maps which display distributions corresponding to order and disorder of protons, respectively.