Table 1 Unit cell parameters, coordinates and isotropic displacement parameters of atoms in Nd1−x Sr x Al1−x Ti x O3 structures at RT
From: Structural Behaviour of Solid Solutions in the NdAlO3-SrTiO3 System
Atoms, sites | Parameter, residuals | x in Nd1−x Sr x Al1−x Ti x O3, space group | ||||
|---|---|---|---|---|---|---|
0.3, R \( \overline{3} \) c | 0.5, R \( \overline{3} \) c | 0.7, R \( \overline{3} \) c | 0.8, R \( \overline{3} \) c | 0.9, Pm \( \overline{3} \) m | ||
a, Å | 5.3836(4) | 5.4281(4) | 5.4674(5) | 5.4849(8) | 3.8911(1) | |
c, Å | 13.1180(2) | 13.251(1) | 13.368(2) | 13.428(3) | – | |
Nd/Sr, 6c (0, 0, ¼) | B iso , Å 2 | 0.73(2) | 0.91(1) | 0.67(2) | 0.83(1) | 0.90(4) |
Al/Ti, 6b (0, 0, 0) | B iso , Å 2 | 0.54(4) | 0.41(2) | 0.44(3) | 0.53(2) | 0.48(5) |
O, 18e (x, 0, ¼) | x | 0.5395(8) | 0.5358(6) | 0.5277(6) | 0.5213(7) | – |
B iso , Å 2 | 1.48(8) | 1.25(5) | 1.72(6) | 1.57(5) | 1.36(11) | |
R I | 0.021 | 0.026 | 0.030 | 0.028 | 0.033 | |
R P | 0.076 | 0.091 | 0.083 | 0.086 | 0.092 | |