AFLOW Prototype: A6B2C_hP9_164_i_d_a
Prototype | : | F6(NH4)2Si |
AFLOW prototype label | : | A6B2C_hP9_164_i_d_a |
Strukturbericht designation | : | $J1_{6}$ |
Pearson symbol | : | hP9 |
Space group number | : | 164 |
Space group symbol | : | $P\bar{3}m1$ |
AFLOW prototype command | : | aflow --proto=A6B2C_hP9_164_i_d_a --params=$a$,$c/a$,$z_{2}$,$x_{3}$,$z_{3}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{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) & \text{Si} \\ \mathbf{B}_{2} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{NH$_{4}$} \\ \mathbf{B}_{3} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{NH$_{4}$} \\ \mathbf{B}_{4} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -\sqrt{3}x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6i\right) & \text{F} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1} + 2x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{3}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6i\right) & \text{F} \\ \mathbf{B}_{6} & = & -2x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -\frac{3}{2}x_{3}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6i\right) & \text{F} \\ \mathbf{B}_{7} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \sqrt{3}x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(6i\right) & \text{F} \\ \mathbf{B}_{8} & = & 2x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{3}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(6i\right) & \text{F} \\ \mathbf{B}_{9} & = & -x_{3} \, \mathbf{a}_{1}-2x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -\frac{3}{2}x_{3}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(6i\right) & \text{F} \\ \end{array} \]