AFLOW Prototype: AB3_oP16_62_c_cd
Prototype | : | Fe3C |
AFLOW prototype label | : | AB3_oP16_62_c_cd |
Strukturbericht designation | : | $D0_{11}$ |
Pearson symbol | : | oP16 |
Space group number | : | 62 |
Space group symbol | : | $\text{Pnma}$ |
AFLOW prototype command | : | aflow --proto=AB3_oP16_62_c_cd --params=$a$,$b/a$,$c/a$,$x_{1}$,$z_{1}$,$x_{2}$,$z_{2}$,$x_{3}$,$y_{3}$,$z_{3}$ |
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}+ \frac14 \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&x_{1} \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{C} \\ \mathbf{B}_{2} & =&\left(\frac12 - x_{1}\right) \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ \left(\frac12 + z_{1}\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_{1}\right) \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{C} \\ \mathbf{B}_{3} & =&- x_{1} \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&- x_{1} \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{C} \\ \mathbf{B}_{4} & =&\left(\frac12 + x_{1}\right) \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \left(\frac12 - z_{1}\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_{1}\right) \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{1}\right) \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{C} \\ \mathbf{B}_{5} & =&x_{2} \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&x_{2} \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{Fe I} \\ \mathbf{B}_{6} & =&\left(\frac12 - x_{2}\right) \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ \left(\frac12 + z_{2}\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{Fe I} \\ \mathbf{B}_{7} & =&- x_{2} \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&- x_{2} \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{Fe I} \\ \mathbf{B}_{8} & =&\left(\frac12 + x_{2}\right) \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \left(\frac12 - z_{2}\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_{2}\right) \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{2}\right) \, c \, \mathbf{\hat{z}}& \left(4c\right) & \text{Fe I} \\ \mathbf{B}_{9} & =&x_{3} \, \mathbf{a}_{1}+ y_{3} \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&x_{3} \, a \, \mathbf{\hat{x}}+ y_{3} \, b \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{10} & =&\left(\frac12 - x_{3}\right) \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+ \left(\frac12 + z_{3}\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_{3}\right) \, a \, \mathbf{\hat{x}}- y_{3} \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{3}\right) \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{11} & =&- x_{3} \, \mathbf{a}_{1}+ \left(\frac12 + y_{3}\right) \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}& =&- x_{3} \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{3}\right) \, b \, \mathbf{\hat{y}}- z_{3} \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{12} & =&\left(\frac12 + x_{3}\right) \, \mathbf{a}_{1}+ \left(\frac12 - y_{3}\right) \, \mathbf{a}_{2}+ \left(\frac12 - z_{3}\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_{3}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{3}\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{3}\right) \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{13} & =&- x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}& =&- x_{3} \, a \, \mathbf{\hat{x}}- y_{3} \, b \, \mathbf{\hat{y}}- z_{3} \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{14} & =&\left(\frac12 + x_{3}\right) \, \mathbf{a}_{1}+ y_{3} \, \mathbf{a}_{2}+ \left(\frac12 - z_{3}\right) \, \mathbf{a}_{3}& =&\left(\frac12 + x_{3}\right) \, a \, \mathbf{\hat{x}}+ y_{3} \, b \, \mathbf{\hat{y}}+ \left(\frac12 - z_{3}\right) \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{15} & =&x_{3} \, \mathbf{a}_{1}+ \left(\frac12 - y_{3}\right) \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&x_{3} \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{3}\right) \, b \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \mathbf{B}_{16} & =&\left(\frac12 - x_{3}\right) \, \mathbf{a}_{1}+ \left(\frac12 + y_{3}\right) \, \mathbf{a}_{2}+ \left(\frac12 + z_{3}\right) \, \mathbf{a}_{3}& =&\left(\frac12 - x_{3}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{3}\right) \, b \, \mathbf{\hat{y}}+ \left(\frac12 + z_{3}\right) \, c \, \mathbf{\hat{z}}& \left(8d\right) & \text{Fe II} \\ \end{array} \]