Table 2. Comparison of the Structural Distortions from the Archetypal Perovskite Structure in Lead and Silver/Bismuth Double Perovskite Compoundsa.
| compound | CCDC no. | β (deg) | metal | δ (deg) | MXap/MXeq (Å) | dm (Å) |
|---|---|---|---|---|---|---|
| Thickness n = 1 | ||||||
| BA2PbBr4 | 1521054 | 154.8 | 6.3 | 1.005 | 0.00 | |
| 1945905 | 152.9 | 5.5 | 1.010 | 0.00 | ||
| PEA2PbBr4 | 754094 | 150.8–152.1 | 2.9–3.5 | 1.012 | 0.20 | |
| 1903529 | 151.1–152.2 | 2.8–3.2 | 1.012–1.014 | 0.17 | ||
| BA4AgBiBr8 | 1814979 | 159.3–160.2 | Ag | 4.2 | 0.895 | 0.00 |
| Bi | 5.6 | 1.016 | 0.00 | |||
| PEA4AgBiBr8b | 2088920 | 158.6–159.1 | Ag | 3.4–3.9 | 0.880 | 0.07 |
| Bi | 3.9 | 1.012 | 0.03 | |||
| Thickness n = 2 | ||||||
| BA2CsPb2Br7 | 1945912 | 151.9–157.0 | 1.2–7.3 | 1.005 | 0.09 | |
| BA2CsAgBiBr7 | 1814799 | 161.0–171.7 | Ag | 3.4–10.3 | 1.029 | 0.50 |
| Bi | 3.7–8.5 | 1.008 | 0.05 | |||
| 1814800 | 163.9–178.9 | Ag | 5.3–7.4 | 0.982 | 0.38 | |
| Bi | 4.0–8.8 | 1.001 | 0.03 | |||
| PEA2CsAgBiBr7b | 2088919 | 163.9–167.6 | Ag | 1.5–7.5 | 1.002 | 0.42 |
| Bi | 1.5–7.5 | 1.003 | 0.02 | |||
a
Abbreviations: BA, butylammonium; PEA, phenylethylammonium. Analyses were carried out on the crystalline structures deposited with the Cambridge Crystallographic Data Center, with the corresponding CCDC reference reported. For a detailed description of the considered distortions, vide infra.
b
This work.