Table 2. Structural parameters for the perovskite structure for the ideal structure used in the demonstration of the periodic PDF, and the refined values for the model based on the short- or long-range distances.
Ideal | Short | Long | |
---|---|---|---|
x(Ta) | 0 | 0.0960 (4) | 0.10009 (1) |
B(Ta) (Å2) | 0.1 | 0.188 (1) | 0.1253 (3) |
B(Sr) (Å2) | 0.2 | 0.133 (1) | 0.1974 (5) |
B(O) (Å2) | 0.3 | 0.264 (4) | 0.355 (1) |