Thermal Motion in Ice and Heavy Ice

Abstract

Changes with temperature of x‐ray intensities of the 00l reflections in ice and heavy ice are investigated. From these the amplitudes of thermal motion of oxygen and hydrogen atoms are determined separately. This can be accomplished since only hydrogen atoms contribute to the 004 reflection. The thermal amplitudes of the oxygen atoms, which represent molecular amplitudes, can be expressed in terms of a constant Debye characteristic temperature; 224°K for ordinary ice and 237°K for heavy ice. The amplitudes of thermal vibration of the hydrogen and deuterium atoms as derived from absolute intensities of 004 at various temperatures, cannot be expressed in terms of a characteristic temperature. They consist of superimposed stretching, bending and librational motions. In addition to these a rotational motion of low zero point energy seems to be present.