A neutron diffraction determination of the crystal structure of α-phase potassium nitrate at 25 degrees C and 100 degrees C

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Abstract
The structure of alpha -phase potassium nitrate (KNO3) has been determined at room temperature (25 degrees C) and closer to the alpha to beta transition temperature at 100 degrees C, from three-dimensional neutron diffraction data. The present results indicate that the potassium atoms experience small but significant displacements, predominantly along the (001) direction, as the temperature is increased. They also suggest that the NO3 groups are nonplanar, with the plane of the oxygen atoms making a small angle to the a-b face of the unit cell. Analysis of the atomic anisotropic thermal parameters, obtained from the least-squares refinements, suggests that the RMS vibrational amplitudes of the potassium atoms increase along the (001) direction as the temperature increases.

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