AFLOW Prototype: A2B_oF24_70_e_a
Prototype | : | TiSi2 |
AFLOW prototype label | : | A2B_oF24_70_e_a |
Strukturbericht designation | : | $C54$ |
Pearson symbol | : | oF24 |
Space group number | : | 70 |
Space group symbol | : | $\text{Fddd}$ |
AFLOW prototype command | : | aflow --proto=A2B_oF24_70_e_a --params=$a$,$b/a$,$c/a$,$x_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =& \frac18 \, \mathbf{a}_{1} + \frac18 \, \mathbf{a}_{2} + \frac18 \, \mathbf{a}_{3}& =& \frac18 \, a \, \mathbf{\hat{x}} + \frac18 \, b \, \mathbf{\hat{y}} + \frac18 \, c \, \mathbf{\hat{z}}& \left(8a\right) & \text{Ti} \\ \mathbf{B}_{2} & =& \frac78 \, \mathbf{a}_{1} + \frac78 \, \mathbf{a}_{2} + \frac78 \, \mathbf{a}_{3}& =& \frac78 \, a \, \mathbf{\hat{x}} + \frac78 \, b \, \mathbf{\hat{y}} + \frac78 \, c \, \mathbf{\hat{z}}& \left(8a\right) & \text{Ti} \\ \mathbf{B}_{3} & =& \left(\frac14 - x_{2}\right) \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + x_{2} \, \mathbf{a}_{3}& =& x_{2} \, a \, \mathbf{\hat{x}} + \frac18 \, b \, \mathbf{\hat{y}} + \frac18 \, c \, \mathbf{\hat{z}}& \left(16e\right) & \text{Si} \\ \mathbf{B}_{4} & =& x_{2} \, \mathbf{a}_{1} + \left(\frac14 - x_{2}\right) \, \mathbf{a}_{2} + \left(\frac14 - x_{2}\right) \, \mathbf{a}_{3}& =& \left(\frac14 - x_{2}\right) \, a \, \mathbf{\hat{x}} + \frac18 \, b \, \mathbf{\hat{y}} + \frac18 \, c \, \mathbf{\hat{z}}& \left(16e\right) & \text{Si} \\ \mathbf{B}_{5} & =& \left(\frac34 + x_{2}\right) \, \mathbf{a}_{1} - x_{2} \, \mathbf{a}_{2} + - x_{2} \, \mathbf{a}_{3}& =& - x_{2} \, a \, \mathbf{\hat{x}} + \frac38 \, b \, \mathbf{\hat{y}} + \frac38 \, c \, \mathbf{\hat{z}}& \left(16e\right) & \text{Si} \\ \mathbf{B}_{6} & =& -x_{2} \, \mathbf{a}_{1} + \left(\frac34 + x_{2}\right) \, \mathbf{a}_{2} + \left(\frac34 + x_{2}\right) \, \mathbf{a}_{3}& =& \left(\frac34 + x_{2}\right) \, a \, \mathbf{\hat{x}} + \frac38 \, b \, \mathbf{\hat{y}} + \frac38 \, c \, \mathbf{\hat{z}}& \left(16e\right) & \text{Si} \\ \end{array} \]