AFLOW Prototype: A2B2C4D_tP18_132_e_i_o_d
Prototype | : | Rb2TiCu2Se4 |
AFLOW prototype label | : | A2B2C4D_tP18_132_e_i_o_d |
Strukturbericht designation | : | None |
Pearson symbol | : | tP18 |
Space group number | : | 132 |
Space group symbol | : | $P4_{2}/mcm$ |
AFLOW prototype command | : | aflow --proto=A2B2C4D_tP18_132_e_i_o_d --params=$a$,$c/a$,$x_{3}$,$x_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{Ti} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{Ti} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Cu} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Cu} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Cu} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Cu} \\ \mathbf{B}_{7} & = & x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} & = & x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} & \left(4i\right) & \text{Rb} \\ \mathbf{B}_{8} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} & = & -x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} & \left(4i\right) & \text{Rb} \\ \mathbf{B}_{9} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4i\right) & \text{Rb} \\ \mathbf{B}_{10} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4i\right) & \text{Rb} \\ \mathbf{B}_{11} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{12} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{13} & = & -x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{14} & = & x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{15} & = & -x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{16} & = & x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{17} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \mathbf{B}_{18} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8o\right) & \text{S} \\ \end{array} \]