AlF3 (D014) Structure: AB3_hR8_155_c_de
| Prototype | : | AlF3 |
| AFLOW prototype label | : | AB3_hR8_155_c_de |
| Strukturbericht designation | : | $D0_{14}$ |
| Pearson symbol | : | hR8 |
| Space group number | : | 155 |
| Space group symbol | : | $\mbox{R32}$ |
| AFLOW prototype command | : | aflow --proto=AB3_hR8_155_c_de [--hex] --params=$a,c/a,x_{1},y_{2},y_{3}$ |
Other compounds with this structure
- FeF3
- Hexagonal settings of this structure can be obtained with the option ––hex.
Rhombohedral primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}} + \frac13
\, c \, \mathbf{\hat{z}} \\
\mathbf{a}_2 & = & \frac{1}{\sqrt{3}} \, a \, \mathbf{\hat{y}} + \frac13 \, c \, \mathbf{\hat{z}} \\
\mathbf{a}_3 & = & - \frac12 \, a \, \mathbf{\hat{x}} - \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}} + \frac13
\, c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &x_{1} \, \mathbf{a}_{1}+ x_{1} \, \mathbf{a}_{2}+ x_{1} \, \mathbf{a}_{3}& = &x_{1} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Al} \\ \mathbf{B}_{2} & = &- x_{1} \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}- x_{1} \, \mathbf{a}_{3}& = &- x_{1} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Al} \\ \mathbf{B}_{3} & = &y_{2} \, \mathbf{a}_{2}- y_{2} \, \mathbf{a}_{3}& = &\frac12 \, y_{2} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt{3}}2 \, y_{2} \, a \, \mathbf{\hat{y}}& \left(3d\right) & \mbox{F I} \\ \mathbf{B}_{4} & = &- y_{2} \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{3}& = &- y_{2} \, a \, \mathbf{\hat{x}}& \left(3d\right) & \mbox{F I} \\ \mathbf{B}_{5} & = &y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}& = &\frac12 \, y_{2} \, a \, \mathbf{\hat{x}}- \frac{\sqrt{3}}2 \, y_{2} \, a \, \mathbf{\hat{y}}& \left(3d\right) & \mbox{F I} \\ \mathbf{B}_{6} & = &\frac12 \, \mathbf{a}_{1}+ y_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}& = &\frac14 \, \left(2 \, y_{3} + 1\right) \, a \, \mathbf{\hat{x}}+ \frac1{4 \sqrt{3}} \, \left(6 \, y_{3} - 1\right) \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(3e\right) & \mbox{F II} \\ \mathbf{B}_{7} & = &- y_{3} \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ y_{3} \, \mathbf{a}_{3}& = &- y_{3} \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(3e\right) & \mbox{F II} \\ \mathbf{B}_{8} & = &y_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac14 \, \left(2 \, y_{3} - 1\right) \, a \, \mathbf{\hat{x}}- \frac1{4\sqrt{3}} \, \left(6 \, y_{3} + 1\right) \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(3e\right) & \mbox{F II} \\ \end{array} \]References
- J. A. A. Ketelaar, Die Kristallstruktur der Aluminiumhalogenide: I. Die Kristallstruktur von AlF3, Zeitschrift für Kristallographie – Crystalline Materials 85, 119–131 (1933), doi:10.1524/zkri.1933.85.1.119.
- R. Hoppe and D. Kissel, Zur kenntnis von AlF3 und InF3 [1], Journal of Fluorine Chemistry 24, 327–340 (1984), doi:10.1016/S0022-1139(00)81321-4.
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).