. 2011 Dec;19(12):1919–1929. doi: 10.1016/j.intermet.2011.05.003

Table 4.

Single crystal data collection and structure refinements of τ₁₂.

Empirical formula	Al₃Fe₂Si
Z	16
Crystal system, Space group	Fd $\bar{3}$ m
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(\|\|F_o\| − \|F_c\|\|)/ΣF_o (164 merged reflections)	0.042
wR2 = ${[\sum w {(F_{o}^{2} - F_{c}^{2})}^{2} / \sum \| w (F_{o}^{4})]}^{1 / 2}$	0.061
Final difference Fourier map/eÅ⁻³	−0.92 to +1.09