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. 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 Fd3¯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(||Fo| − |Fc||)/ΣFo (164 merged reflections) 0.042
wR2 = [w(Fo2Fc2)2/|w(Fo4)]1/2 0.061
Final difference Fourier map/eÅ−3 −0.92 to +1.09
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