Table 2.

Refined structural parameters of rhombohedral and cubic modifications of Pr_0.5Sr_0.5Al_0.5Ti_0.5O₃

Atoms, sites	Parameters, residuals	Temperature, space group
		373 K	573 K	823 K	923 K	1073 K	1173 K
		R  $\overline{3}$  с	R  $\overline{3}$  с	R  $\overline{3}$  с	Pm  $\overline{3}$  m	Pm  $\overline{3}$  m	Pm  $\overline{3}$  m
	a, Å	5.4319 (2)	5.4412 (2)	5.4541 (5)	3.8600 (2)	3.8667 (2)	3.8714 (2)
	c, Å	13.2708 (7)	13.3041 (9)	13.350 (2)	-	-	-
Pr/Sr, 6c in R  $\overline{3}$  с; 1b in Pm  $\overline{3}$  m	x	0	0	0	½	½	½
	y	0	0	0	½	½	½
	z	¼	¼	¼	½	½	½
	B iso, Å2	1.15 (3)	1.35 (3)	1.69 (3)	1.92 (5)	2.01 (5)	2.19 (5)
Al/Ti, 6b in R  $\overline{3}$  с; 1a in Pm  $\overline{3}$  m	x	0	0	0	0	0	0
	y	0	0	0	0	0	0
	z	0	0	0	0	0	0
	B iso, Å2	0.72 (5)	0.92 (6)	0.95 (6)	0.85 (8)	1.19 (9)	1.05 (9)
O, 18e in R  $\overline{3}$  с; 3d in Pm  $\overline{3}$  m	x	0.530 (3)	0.529 (3)	0.506 (16)	½	½	½
	y	0	0	0	0	0	0
	z	¼	¼	¼	0	0	0
	B iso, Å2	0.7 (2)	0.8 (2)	1.9 (2)	2.9 (2)	2.9 (2)	3.5 (2)
	R I	0.047	0.048	0.041	0.045	0.047	0.046
	R P	0.147	0.145	0.064	0.128	0.133	0.135