Table 1 Lattice constants and c/a ratios of Ti3AlB2, Zr3AlB2, Hf3AlB2, and Ta3AlB2 (α = β = 90°, γ = 120°).

From: Study on the Infrared and Raman spectra of Ti3AlB2, Zr3AlB2, Hf3AlB2, and Ta3AlB2 by first-principles calculations

Materials

a (Å)

c (Å)

c/a

V (Å3)

Ti3AlB2

3.13690

19.54835

6.231742

166.587365

Zr3AlB2

3.35549

20.51663

6.114347

200.054823

Hf3AlB2

3.40727

20.69831

6.074749

208.103271

Ta3AlB2

3.23208

19.85585

6.143366

178.489587

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