Effect of titanium substitution on the improvement of the thermal expansion properties of Zr2S0.9P2O12-δ

This paper reports on the effect of Ti substitution on the thermal expansion behavior of Zr2-xTixS0.9P2O12-delta. The solid solubility limit of Ti in Zr2-xTixS0.9P2O12-delta was approximately x = 0.7 and could be classified into two types of Zr2-xTixS0.9P2O12-delta: x = 0-0.38 and x = 0.46-0.7. The all-Ti-substituted Zr2-xTixS0.9P2O12-delta had a smaller lattice volume than Zr2S0.9P2O12-delta. Zr2-xTixS0.9P2O12-delta (x = 0-0.38) showed a similar thermal expansion behavior to Zr2S0.9P2O12-delta, but Zr2-xTixS0.9P2O12-delta (x = 0.46-0.70) was less deformable than Zr2-xTixS0.9P2O12-delta (x = 0-0.38). In other words, Ti has two effects: reduction of the lattice constant and inhibition of the phase transition. Zr1.62Ti0.38S0.9P2O12-delta had the smallest lattice volume among the chemical compositions with a dynamic phase transition and had the lowest alpha(v) value of -114 ppm/K at 393-453 K.

Automated summary

This paper investigates the effect of Ti substitution on the thermal expansion behavior of Zr2-xTixS0.9P2O12-δ, finding that Ti has two effects: reduction of the lattice constant and inhibition of the phase transition. Ti showed a solid solubility limit of approximately x=0.7 in Zr2-xTixS0.9P2O12-δ, leading to two types of compounds with different thermal expansion behaviors.