AFLOW Prototype: A4BC4D_tI40_122_e_b_e_a
Prototype | : | H2KO4P |
AFLOW prototype label | : | A4BC4D_tI40_122_e_b_e_a |
Strukturbericht designation | : | $H2_{2}$ |
Pearson symbol | : | tI40 |
Space group number | : | 122 |
Space group symbol | : | $I\bar{4}2d$ |
AFLOW prototype command | : | aflow --proto=A4BC4D_tI40_122_e_b_e_a --params=$a$,$c/a$,$x_{3}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$ |
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{P} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4a\right) & \text{P} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4b\right) & \text{K} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4b\right) & \text{K} \\ \mathbf{B}_{5} & = & \left(y_{3}+z_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}+z_{3}\right) \, \mathbf{a}_{2} + \left(x_{3}+y_{3}\right) \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{6} & = & \left(-y_{3}+z_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}+z_{3}\right) \, \mathbf{a}_{2} + \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{7} & = & \left(-x_{3}-z_{3}\right) \, \mathbf{a}_{1} + \left(y_{3}-z_{3}\right) \, \mathbf{a}_{2} + \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{8} & = & \left(x_{3}-z_{3}\right) \, \mathbf{a}_{1} + \left(-y_{3}-z_{3}\right) \, \mathbf{a}_{2} + \left(x_{3}-y_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{9} & = & \left(\frac{3}{4} +y_{3} - z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - x_{3} - z_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{3} + y_{3}\right) \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{10} & = & \left(\frac{3}{4} - y_{3} - z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +x_{3} - z_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{3} - y_{3}\right) \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{11} & = & \left(\frac{3}{4} - x_{3} + z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - y_{3} + z_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{3} - y_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{12} & = & \left(\frac{3}{4} +x_{3} + z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +y_{3} + z_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{3} + y_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{H} \\ \mathbf{B}_{13} & = & \left(y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{14} & = & \left(-y_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{15} & = & \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{16} & = & \left(x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-y_{4}-z_{4}\right) \, \mathbf{a}_{2} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{17} & = & \left(\frac{3}{4} +y_{4} - z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - x_{4} - z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4} + y_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{18} & = & \left(\frac{3}{4} - y_{4} - z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +x_{4} - z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4} - y_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{19} & = & \left(\frac{3}{4} - x_{4} + z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - y_{4} + z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4} - y_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \mathbf{B}_{20} & = & \left(\frac{3}{4} +x_{4} + z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +y_{4} + z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4} + y_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{4} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(16e\right) & \text{O} \\ \end{array} \]