Table 4.
Single crystal data collection and structure refinements of τ12.
Empirical formula | Al3Fe2Si |
Z | 16 |
Crystal system, Space group | Fdm |
Structure type | NiTi2 |
Cell parameter (Å) | 10.806(2) |
Cell volume (Å3) | 1261.8(6) |
Crystal dimensions (μm) | 20 × 40 × 50 |
2 θ range for data collection (°) | 3–70 |
Reflections collected/unique | 1790/1201 |
Extinction coefficient | 0.0002(2) |
R1 = Σ(||Fo| − |Fc||)/ΣFo (164 merged reflections) | 0.042 |
wR2 = | 0.061 |
Final difference Fourier map/eÅ−3 | −0.92 to +1.09 |