ZrSi2 (C49) Structure: A2B_oC12_63_2c_c
| Prototype | : | ZrSi2 |
| AFLOW prototype label | : | A2B_oC12_63_2c_c |
| Strukturbericht designation | : | $C49$ |
| Pearson symbol | : | oC12 |
| Space group number | : | 63 |
| Space group symbol | : | $\mbox{Cmcm}$ |
| AFLOW prototype command | : | aflow --proto=A2B_oC12_63_2c_c --params=$a,b/a,c/a,y_{1},y_{2},y_{3}$ |
Base-centered Orthorhombic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =& - y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{1} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Si I} \\ \mathbf{B}_{2} & =& y_{1} \, \mathbf{a}_{1} - y_{1} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{1} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Si I} \\ \mathbf{B}_{3} & =& - y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{2} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Si II} \\ \mathbf{B}_{4} & =& y_{2} \, \mathbf{a}_{1} - y_{2} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{2} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Si II} \\ \mathbf{B}_{5} & =& - y_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{3} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Zr} \\ \mathbf{B}_{6} & =& y_{3} \, \mathbf{a}_{1} - y_{3} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{3} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Zr} \\ \end{array} \]References
- P. G. Cotter, J. A. Kohn, and R. A. Potter, Physical and X–Ray Study of the Disilicides of Titanium, Zirconium, and Hafnium, J. Am. Ceram. Soc. 39, 11–12 (1956), doi:10.1111/j.1151-2916.1956.tb15590.x.
Found in
- P. Villars, Material Phases Data System ((MPDS), CH–6354 Vitznau, Switzerland, 2014). Accessed through the Springer Materials site.