a (Å)

c/a

Pb

Ti

O₁

O₂

理论值

3.851

1.067

(0, 0, 0)

(0.5, 0.5, 0.461)

(0.5, 0.5, 0.891)

(0, 0.5, 0.382)

实验值[16]

3.904

1.065

(0, 0, 0)

(0.5, 0.5, 0.5)

(0.5, 0.5, 0.872)

(0, 0.5, 0.379)