ZrSi$_{2}$ ($C49$) Structure: A2B_oC12_63_2c_c-001
| Prototype | Si$_{2}$Zr |
| AFLOW prototype label | A2B_oC12_63_2c_c-001 |
| Strukturbericht designation | $C49$ |
| ICSD | 652610 |
| Pearson symbol | oC12 |
| Space group number | 63 |
| Space group symbol | $Cmcm$ |
| AFLOW prototype command |
aflow --proto=A2B_oC12_63_2c_c-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak y_{1}, \allowbreak y_{2}, \allowbreak y_{3}$ |
Other compounds with this structure
Bi$_{2}$Ca, Bi$_{2}$Eu, Ge$_{2}$Hf, Ge$_{2}$Th, Ge$_{2}$U, Ge$_{2}$Zr, Si$_{2}$Hf, Si$_{2}$Ti, Sn$_{2}$Er, Sn$_{2}$Dy, Sn$_{2}$Gd, Sn$_{2}$Ho, Sn$_{2}$Lu, Sn$_{2}$Tb, Sn$_{2}$Tm, Sn$_{2}$Y, Sn$_{2}$Yb
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $- y_{1} \, \mathbf{a}_{1}+y_{1} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $b y_{1} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4c) | Si I |
| $\mathbf{B_{2}}$ | = | $y_{1} \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- b y_{1} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4c) | Si I |
| $\mathbf{B_{3}}$ | = | $- y_{2} \, \mathbf{a}_{1}+y_{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $b y_{2} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4c) | Si II |
| $\mathbf{B_{4}}$ | = | $y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- b y_{2} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4c) | Si II |
| $\mathbf{B_{5}}$ | = | $- y_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $b y_{3} \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4c) | Zr I |
| $\mathbf{B_{6}}$ | = | $y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- b y_{3} \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4c) | Zr I |
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, ZrSi2 Crystal Structure (2016). PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials.
Prototype Generator
aflow --proto=A2B_oC12_63_2c_c --params=$a,b/a,c/a,y_{1},y_{2},y_{3}$