AFLOW Prototype: A12B2C_cF60_196_h_bc_a
Prototype | : | Cu2Fe[CN]6 |
AFLOW prototype label | : | A12B2C_cF60_196_h_bc_a |
Strukturbericht designation | : | None |
Pearson symbol | : | cF60 |
Space group number | : | 196 |
Space group symbol | : | $F23$ |
AFLOW prototype command | : | aflow --proto=A12B2C_cF60_196_h_bc_a --params=$a$,$x_{4}$,$y_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 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(4a\right) & \text{Fe} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(4b\right) & \text{Cu I} \\ \mathbf{B}_{3} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(4c\right) & \text{Cu II} \\ \mathbf{B}_{4} & = & \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{5} & = & \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + z_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{6} & = & \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}}-z_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{7} & = & \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}}-z_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{8} & = & \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & z_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + y_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{9} & = & \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & z_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-y_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{10} & = & \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & -z_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + y_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{11} & = & \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & -z_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-y_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{12} & = & \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{13} & = & \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{14} & = & \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \mathbf{B}_{15} & = & \left(x_{4}+y_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-y_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}-z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(48h\right) & \text{C} \\ \end{array} \]