Phase transitions in LiKSO₄: Low-temperature neutron diffraction results

Abstract

Results of a detailed crystallographic study of the structural phase transitions in LiKSO₄, carried out using single crystal neutron diffraction at ambient and below-ambient temperatures (300–100 K), are presented. The study indicates two clear phase transitions at 205 K (from space group P6₃ to space group P31c), at 189 K (to space group Cc) and a third transition at about 130 K in the cooling cycle. The corresponding temperatures are 250 K, 200 K and 138 K in the heating cycle. The existence of twins, mixed phases, and extremely sluggish kinetics for the various phase transitions, as well as the structural details of the various phases in this mixed salt, can explain the apparent inconsistencies in the results of several experimental investigations reported in the literature.

Key Words:

• Structures at low temperatures
• LiKSO₄
• single crystal neutron diffraction
• structural phase transitions