AFLOW Prototype: AB2_oP6_58_a_g.eta-Fe2C
Prototype | : | $\eta$–Fe2C |
AFLOW prototype label | : | AB2_oP6_58_a_g |
Strukturbericht designation | : | None |
Pearson symbol | : | oP6 |
Space group number | : | 58 |
Space group symbol | : | $\text{Pnnm}$ |
AFLOW prototype command | : | aflow --proto=AB2_oP6_58_a_g --params=$a$,$b/a$,$c/a$,$x_{2}$,$y_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =&0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & =&0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \text{C} \\ \mathbf{B}_{2} & =&\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, b \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{C} \\ \mathbf{B}_{3} & =&x_{2} \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{2}& =&x_{2} \, a \, \mathbf{\hat{x}}+ y_{2} \, b \, \mathbf{\hat{y}}& \left(4g\right) & \text{Fe} \\ \mathbf{B}_{4} & =&- x_{2} \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}& =&- x_{2} \, a \, \mathbf{\hat{x}}- y_{2} \, b \, \mathbf{\hat{y}}& \left(4g\right) & \text{Fe} \\ \mathbf{B}_{5} & =&\left(\frac12 - x_{2}\right) \, \mathbf{a}_{1}+ \left(\frac12 + y_{2}\right) \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{2}\right) \, b \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(4g\right) & \text{Fe} \\ \mathbf{B}_{6} & =&\left(\frac12 + x_{2}\right) \, \mathbf{a}_{1}+ \left(\frac12 - y_{2}\right) \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\left(\frac12 + x_{2}\right) \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{2}\right) \, b \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(4g\right) & \text{Fe} \\ \end{array} \]