Al3Ni2 (D513) Structure: A3B2_hP5_164_ad_d
| Prototype | : | Al3Ni2 |
| AFLOW prototype label | : | A3B2_hP5_164_ad_d |
| Strukturbericht designation | : | $D5_{13}$ |
| Pearson symbol | : | hP5 |
| Space group number | : | 164 |
| Space group symbol | : | $\mbox{P}\bar{3}\mbox{m1}$ |
| AFLOW prototype command | : | aflow --proto=A3B2_hP5_164_ad_d --params=$a,c/a,z_2,z_3$ |
Other compounds with this structure
- Al3Cu2, Al3Pd2, Al3Pt2, Al3In2, Al3Tc2, In3Al2, In3Pd2, In3Pt2, Ga3Pt2
- Either the 3 Al atoms or Al (1a) and the Ni atoms form a trigonal omega structure. Using the choices of internal parameters for Al3Ni2, this can be viewed as a five-layer close-packed unit cell with stacking ABCBCA.
Trigonal Hexagonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt{3}}2 \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}2 \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B_1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Al I} \\ \mathbf{B_2} & =& \frac13 \, \mathbf{a}_{1} + \frac23 \, \mathbf{a}_{2} + z_2 \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}} +z_2 \, c \, \mathbf{\hat{z}}& \left(2d\right) & \mbox{Al II} \\ \mathbf{B_3} & =& \frac23 \, \mathbf{a}_{1} + \frac13 \, \mathbf{a}_{2} - z_2 \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} - \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}} -z_2 \, c \, \mathbf{\hat{z}}& \left(2d\right) & \mbox{Al II} \\ \mathbf{B_4} & =& \frac13 \, \mathbf{a}_{1} + \frac23 \, \mathbf{a}_{2} + z_3 \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}} +z_3 \, c \, \mathbf{\hat{z}}& \left(2d\right) & \mbox{Ni} \\ \mathbf{B_5} & =& \frac23 \, \mathbf{a}_{1} + \frac13 \, \mathbf{a}_{2} - z_3 \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} - \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}} -z_3 \, c \, \mathbf{\hat{z}}& \left(2d\right) & \mbox{Ni} \\ \end{array} \]References
- A. J. Bradley and A. Taylor, The crystal structures of Ni2Al3 and NiAl3, Phil. Mag. 23, 1049–1067 (1937), doi:10.1080/14786443708561875.
Found in
- P. Villars, K. Cenzual, J. Daams, R. Gladyshevskii, O. Shcherban, V. Dubenskyy, N. Melnichenko–Koblyuk, O. Pavlyuk, I. Savesyuk, S. Stoiko, and L. Sysa, Landolt–Börnstein – Group III Condensed Matter (Springer–Verlag GmbH, Heidelberg, 2008). Accessed through the Springer Materials site.