AFLOW Prototype: A7B3C2_tI24_139_aeg_be_e
Prototype | : | O7Sr3Ti2 |
AFLOW prototype label | : | A7B3C2_tI24_139_aeg_be_e |
Strukturbericht designation | : | None |
Pearson symbol | : | tI24 |
Space group number | : | 139 |
Space group symbol | : | $I4/mmm$ |
AFLOW prototype command | : | aflow --proto=A7B3C2_tI24_139_aeg_be_e --params=$a$,$c/a$,$z_{3}$,$z_{4}$,$z_{5}$,$z_{6}$ |
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{O I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{Sr I} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{O II} \\ \mathbf{B}_{4} & = & -z_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{O II} \\ \mathbf{B}_{5} & = & z_{4} \, \mathbf{a}_{1} + z_{4} \, \mathbf{a}_{2} & = & z_{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Sr II} \\ \mathbf{B}_{6} & = & -z_{4} \, \mathbf{a}_{1}-z_{4} \, \mathbf{a}_{2} & = & -z_{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Sr II} \\ \mathbf{B}_{7} & = & z_{5} \, \mathbf{a}_{1} + z_{5} \, \mathbf{a}_{2} & = & z_{5}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Ti} \\ \mathbf{B}_{8} & = & -z_{5} \, \mathbf{a}_{1}-z_{5} \, \mathbf{a}_{2} & = & -z_{5}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Ti} \\ \mathbf{B}_{9} & = & \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{1} + z_{6} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{O III} \\ \mathbf{B}_{10} & = & z_{6} \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + z_{6}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{O III} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{1}-z_{6} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{O III} \\ \mathbf{B}_{12} & = & -z_{6} \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{6}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{O III} \\ \end{array} \]