AFLOW Prototype: A2B7C2_tI44_119_i_bdefgh_i
Prototype | : | Cd2O7Re2 |
AFLOW prototype label | : | A2B7C2_tI44_119_i_bdefgh_i |
Strukturbericht designation | : | None |
Pearson symbol | : | tI44 |
Space group number | : | 119 |
Space group symbol | : | $I\bar{4}m2$ |
AFLOW prototype command | : | aflow --proto=A2B7C2_tI44_119_i_bdefgh_i --params=$a$,$c/a$,$z_{3}$,$z_{4}$,$x_{5}$,$x_{6}$,$x_{7}$,$z_{7}$,$x_{8}$,$z_{8}$ |
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}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{O I} \\ \mathbf{B}_{2} & = & \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(2d\right) & \text{O II} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{O III} \\ \mathbf{B}_{4} & = & -z_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{O III} \\ \mathbf{B}_{5} & = & \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{1} + z_{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4f\right) & \text{O IV} \\ \mathbf{B}_{6} & = & -z_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{4}c \, \mathbf{\hat{z}} & \left(4f\right) & \text{O IV} \\ \mathbf{B}_{7} & = & x_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + 2x_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} & \left(8g\right) & \text{O V} \\ \mathbf{B}_{8} & = & -x_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2}-2x_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} & \left(8g\right) & \text{O V} \\ \mathbf{B}_{9} & = & -x_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} & = & x_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} & \left(8g\right) & \text{O V} \\ \mathbf{B}_{10} & = & x_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} & = & -x_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} & \left(8g\right) & \text{O V} \\ \mathbf{B}_{11} & = & \left(\frac{3}{4} +x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +x_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +2x_{6}\right) \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \text{O VI} \\ \mathbf{B}_{12} & = & \left(\frac{3}{4} - x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - x_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - 2x_{6}\right) \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{6}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \text{O VI} \\ \mathbf{B}_{13} & = & \left(\frac{3}{4} - x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +x_{6}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{6}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \text{O VI} \\ \mathbf{B}_{14} & = & \left(\frac{3}{4} +x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - x_{6}\right) \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(8h\right) & \text{O VI} \\ \mathbf{B}_{15} & = & z_{7} \, \mathbf{a}_{1} + \left(x_{7}+z_{7}\right) \, \mathbf{a}_{2} + x_{7} \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + z_{7}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cd} \\ \mathbf{B}_{16} & = & z_{7} \, \mathbf{a}_{1} + \left(-x_{7}+z_{7}\right) \, \mathbf{a}_{2}-x_{7} \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}} + z_{7}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cd} \\ \mathbf{B}_{17} & = & \left(-x_{7}-z_{7}\right) \, \mathbf{a}_{1}-z_{7} \, \mathbf{a}_{2}-x_{7} \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cd} \\ \mathbf{B}_{18} & = & \left(x_{7}-z_{7}\right) \, \mathbf{a}_{1}-z_{7} \, \mathbf{a}_{2} + x_{7} \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cd} \\ \mathbf{B}_{19} & = & z_{8} \, \mathbf{a}_{1} + \left(x_{8}+z_{8}\right) \, \mathbf{a}_{2} + x_{8} \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + z_{8}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Re} \\ \mathbf{B}_{20} & = & z_{8} \, \mathbf{a}_{1} + \left(-x_{8}+z_{8}\right) \, \mathbf{a}_{2}-x_{8} \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}} + z_{8}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Re} \\ \mathbf{B}_{21} & = & \left(-x_{8}-z_{8}\right) \, \mathbf{a}_{1}-z_{8} \, \mathbf{a}_{2}-x_{8} \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Re} \\ \mathbf{B}_{22} & = & \left(x_{8}-z_{8}\right) \, \mathbf{a}_{1}-z_{8} \, \mathbf{a}_{2} + x_{8} \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Re} \\ \end{array} \]