Effect of hydrostatic pressures on the crystal structure of InS

Abstract

Abstract We have measured single crystal X-ray diffraction data of InS at ambient pressure and under hydrostatic pressures up to 4.3 GPa. The redetermination of the crystal structure at ambient conditions shows no major deviations from previous results. Determination of lattice parameters at various pressures confirms an extraordinary large compressibility for the b-axis and a pressure-induced elongation for c. Crystal structure refinements at different pressures show the dominant changes of atomic parameters to be in y (In) and y (S). As a result of these variations the tilt of In-In dumbbells with respect to the c-axis is reduced from 23.2° (ambient conditions) to 16.1° (4.3 GPa), and two long In–S distances are shortened from 349.2(1) pm to 304.1(5) pm. The coordination of indium and sulfur atoms is changed from 4 + 2 towards 6.