SiF$_{4}$ ($D1_{2}$) Structure: A4B_cI10_217_c_a-001
| Prototype | F$_{4}$Si |
| AFLOW prototype label | A4B_cI10_217_c_a-001 |
| Strukturbericht designation | $D1_{2}$ |
| ICSD | 14122 |
| Pearson symbol | cI10 |
| Space group number | 217 |
| Space group symbol | $I\overline{4}3m$ |
| AFLOW prototype command |
aflow --proto=A4B_cI10_217_c_a-001
--params=$a, \allowbreak x_{2}$ |
- We determined the lattice constant for this structure from the internal coordinates and the Si-F bond length given in (Atoji, 1954).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Si I |
| $\mathbf{B_{2}}$ | = | $2 x_{2} \, \mathbf{a}_{1}+2 x_{2} \, \mathbf{a}_{2}+2 x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (8c) | F I |
| $\mathbf{B_{3}}$ | = | $- 2 x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (8c) | F I |
| $\mathbf{B_{4}}$ | = | $- 2 x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (8c) | F I |
| $\mathbf{B_{5}}$ | = | $- 2 x_{2} \, \mathbf{a}_{1}$ | = | $a x_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (8c) | F I |
References
- M. Atoji and W. N. Lipscomb, The structure of SiF$_4$, Acta Cryst. 7, 597 (1954), doi:10.1107/S0365110X5400196X.
Prototype Generator
aflow --proto=A4B_cI10_217_c_a --params=$a,x_{2}$