AFLOW Prototype: A3B_tI8_139_bd_a
Prototype | : | Al3Ti |
AFLOW prototype label | : | A3B_tI8_139_bd_a |
Strukturbericht designation | : | $D0_{22}$ |
Pearson symbol | : | tI8 |
Space group number | : | 139 |
Space group symbol | : | $\text{I4/mmm}$ |
AFLOW prototype command | : | aflow --proto=A3B_tI8_139_bd_a --params=$a$,$c/a$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =&0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & =&0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \text{Ti} \\ \mathbf{B}_{2} & =&\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& =&\frac12 \, c \, \mathbf{\hat{z}}& \left(2b\right) & \text{Al I} \\ \mathbf{B}_{3} & =&\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(4d\right) & \text{Al II} \\ \mathbf{B}_{4} & =&\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(4d\right) & \text{Al II} \\ \end{array} \]