AFLOW Prototype: AB_tP16_84_cej_k
Prototype | : | PdS |
AFLOW prototype label | : | AB_tP16_84_cej_k |
Strukturbericht designation | : | $B34$ |
Pearson symbol | : | tP16 |
Space group number | : | 84 |
Space group symbol | : | $\text{P4}_{2}\text{/m}$ |
AFLOW prototype command | : | aflow --proto=AB_tP16_84_cej_k --params=$a$,$c/a$,$x_{3}$,$y_{3}$,$x_{4}$,$y_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& \frac12 \, \mathbf{a}_{2}& =& \frac12 \, a \, \mathbf{\hat{y}}& \left(2c\right) & \text{Pd I} \\ \mathbf{B}_{2} & =& \frac12 \, \mathbf{a}_{1} + \frac12 \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, c \, \mathbf{\hat{z}}& \left(2c\right) & \text{Pd I} \\ \mathbf{B}_{3} & =& \frac14 \, \mathbf{a}_{3}& =& \frac14 \, c \, \mathbf{\hat{z}}& \left(2e\right) & \text{Pd II} \\ \mathbf{B}_{4} & =& \frac34 \, \mathbf{a}_{3}& =& \frac34 \, c \, \mathbf{\hat{z}}& \left(2e\right) & \text{Pd II} \\ \mathbf{B}_{5} & =&x_{3} \, \mathbf{a}_{1}+ y_{3} \, \mathbf{a}_{2}& =&x_{3} \, a \, \mathbf{\hat{x}}+ y_{3} \, a \, \mathbf{\hat{y}}& \left(4j\right) & \text{Pd III} \\ \mathbf{B}_{6} & =&- x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}& =&- x_{3} \, a \, \mathbf{\hat{x}}- y_{3} \, a \, \mathbf{\hat{y}}& \left(4j\right) & \text{Pd III} \\ \mathbf{B}_{7} & =&- y_{3} \, \mathbf{a}_{1}+ x_{3} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&- y_{3} \, a \, \mathbf{\hat{x}}+ x_{3} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(4j\right) & \text{Pd III} \\ \mathbf{B}_{8} & =&y_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&y_{3} \, a \, \mathbf{\hat{x}}- x_{3} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(4j\right) & \text{Pd III} \\ \mathbf{B}_{9} & =&x_{4} \, \mathbf{a}_{1}+ y_{4} \, \mathbf{a}_{2}+ z_{4} \, \mathbf{a}_{3}& =&x_{4} \, a \, \mathbf{\hat{x}}+ y_{4} \, a \, \mathbf{\hat{y}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{10} & =&- x_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}+ z_{4} \, \mathbf{a}_{3}& =&- x_{4} \, a \, \mathbf{\hat{x}}- y_{4} \, a \, \mathbf{\hat{y}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{11} & =&- y_{4} \, \mathbf{a}_{1}+ x_{4} \, \mathbf{a}_{2}+ \left(\frac12 + z_{4}\right) \, \mathbf{a}_{3}& =&- y_{4} \, a \, \mathbf{\hat{x}}+ x_{4} \, a \, \mathbf{\hat{y}}+ \left(\frac12 + z_{4}\right) \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{12} & =&y_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+ \left(\frac12 + z_{4}\right) \, \mathbf{a}_{3}& =&y_{4} \, a \, \mathbf{\hat{x}}- x_{4} \, a \, \mathbf{\hat{y}}+ \left(\frac12 + z_{4}\right) \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{13} & =&- x_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}& =&- x_{4} \, a \, \mathbf{\hat{x}}- y_{4} \, a \, \mathbf{\hat{y}}- z_{4} \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{14} & =&x_{4} \, \mathbf{a}_{1}+ y_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}& =&x_{4} \, a \, \mathbf{\hat{x}}+ y_{4} \, a \, \mathbf{\hat{y}}- z_{4} \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{15} & =&y_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+ \left(\frac12 - z_{4}\right) \, \mathbf{a}_{3}& =&y_{4} \, a \, \mathbf{\hat{x}}- x_{4} \, a \, \mathbf{\hat{y}}+ \left(\frac12 - z_{4}\right) \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \mathbf{B}_{16} & =&- y_{4} \, \mathbf{a}_{1}+ x_{4} \, \mathbf{a}_{2}+ \left(\frac12 - z_{4}\right) \, \mathbf{a}_{3}& =&- y_{4} \, a \, \mathbf{\hat{x}}+ x_{4} \, a \, \mathbf{\hat{y}}+ \left(\frac12 - z_{4}\right) \, c \, \mathbf{\hat{z}}& \left(8k\right) & \text{S} \\ \end{array} \]