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

Table 5.

Fractional atomic coordinates and displacement parameters of Al₃Fe₂Si (τ₁₂)

Position	Wykoff symbol	Fractional coordination			Displacement parameters
Position	Wykoff symbol	x	y	z	U₁₁	U₂₂	U₃₃	U₂₃	U₁₃	U₁₂	U_equiv.
Fe	32	0.21402(3)	= x	= x	0.0092(2)	= U₁₁	= U₁₁	0.0005(1)	= U₂₃	= U₂₃	0.0092(2)
Al	48	0.42756(9)	1/8	1/8	0.0075(5)	0.0070(3)	= U₂₂	0.0011(3)	0	0	0.0072(2)
Si	16	0	0	0	0.0089(3)	= U₁₁	= U₁₁	0.0015(3)	= U₂₃	= U₂₃	0.0089(3)

The anisotropic displacement parameters are defined as: $\exp [- 2 π^{2} \sum_{i = 1}^{3} \sum_{j = 1}^{3} U_{i j} a_{i}^{*} a_{j}^{*} h_{i} h_{j}]$ .