AFLOW Prototype: A3B2_hR5_155_e_c
Prototype | : | Ni3S2 |
AFLOW prototype label | : | A3B2_hR5_155_e_c |
Strukturbericht designation | : | $D5_{e}$ |
Pearson symbol | : | hR5 |
Space group number | : | 155 |
Space group symbol | : | $\text{R32}$ |
AFLOW prototype command | : | aflow --proto=A3B2_hR5_155_e_c [--hex] --params=$a$,$c/a$,$x_{1}$,$y_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& x_{1} \, \mathbf{a}_{1} + x_{1} \, \mathbf{a}_{2} + x_{1} \, \mathbf{a}_{3}& =& x_{1} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \text{S} \\ \mathbf{B}_{2} & =& - x_{1} \, \mathbf{a}_{1} - x_{1} \, \mathbf{a}_{2} - x_{1} \, \mathbf{a}_{3}& =& - x_{1} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \text{S} \\ \mathbf{B}_{3} & =&\frac12 \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{2}- y_{2} \, \mathbf{a}_{3}& =&\frac14 \left(1 + 2 \, y_{2}\right) \, a \, \mathbf{\hat{x}}+ \frac1{4\sqrt{3}} \left(6 \, y_{2} - 1\right) \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(3e\right) & \text{Ni} \\ \mathbf{B}_{4} & =&- y_{2} \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ y_{2} \, \mathbf{a}_{3}& =&- y_{2} \, a \, \mathbf{\hat{x}}+ \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(3e\right) & \text{Ni} \\ \mathbf{B}_{5} & =&y_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac14 \left(2 \, y_{2} - 1\right) \, a \, \mathbf{\hat{x}}- \frac1{4\sqrt{3}} \left(1 + 6 \, y_{2}\right) \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(3e\right) & \text{Ni} \\ \end{array} \]