Skip to main content

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