AFLOW Prototype: A2B2C6D_tI44_121_i_i_ij_c
Prototype | : | B2Cu2O6Sr |
AFLOW prototype label | : | A2B2C6D_tI44_121_i_i_ij_c |
Strukturbericht designation | : | None |
Pearson symbol | : | tI44 |
Space group number | : | 121 |
Space group symbol | : | $I\bar{4}2m$ |
AFLOW prototype command | : | aflow --proto=A2B2C6D_tI44_121_i_i_ij_c --params=$a$,$c/a$,$x_{2}$,$z_{2}$,$x_{3}$,$z_{3}$,$x_{4}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$ |
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}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} & \left(4c\right) & \text{Sr} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(4c\right) & \text{Sr} \\ \mathbf{B}_{3} & = & \left(x_{2}+z_{2}\right) \, \mathbf{a}_{1} + \left(x_{2}+z_{2}\right) \, \mathbf{a}_{2} + 2x_{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{B} \\ \mathbf{B}_{4} & = & \left(-x_{2}+z_{2}\right) \, \mathbf{a}_{1} + \left(-x_{2}+z_{2}\right) \, \mathbf{a}_{2}-2x_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{B} \\ \mathbf{B}_{5} & = & \left(-x_{2}-z_{2}\right) \, \mathbf{a}_{1} + \left(x_{2}-z_{2}\right) \, \mathbf{a}_{2} & = & x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{B} \\ \mathbf{B}_{6} & = & \left(x_{2}-z_{2}\right) \, \mathbf{a}_{1} + \left(-x_{2}-z_{2}\right) \, \mathbf{a}_{2} & = & -x_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{B} \\ \mathbf{B}_{7} & = & \left(x_{3}+z_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}+z_{3}\right) \, \mathbf{a}_{2} + 2x_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cu} \\ \mathbf{B}_{8} & = & \left(-x_{3}+z_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}+z_{3}\right) \, \mathbf{a}_{2}-2x_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cu} \\ \mathbf{B}_{9} & = & \left(-x_{3}-z_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}-z_{3}\right) \, \mathbf{a}_{2} & = & x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cu} \\ \mathbf{B}_{10} & = & \left(x_{3}-z_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}-z_{3}\right) \, \mathbf{a}_{2} & = & -x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{Cu} \\ \mathbf{B}_{11} & = & \left(x_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+z_{4}\right) \, \mathbf{a}_{2} + 2x_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{O I} \\ \mathbf{B}_{12} & = & \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{2}-2x_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{O I} \\ \mathbf{B}_{13} & = & \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}-z_{4}\right) \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{O I} \\ \mathbf{B}_{14} & = & \left(x_{4}-z_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}-z_{4}\right) \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8i\right) & \text{O I} \\ \mathbf{B}_{15} & = & \left(y_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{16} & = & \left(-y_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{17} & = & \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(y_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{18} & = & \left(x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-y_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{19} & = & \left(y_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{20} & = & \left(-y_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{21} & = & \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(-y_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \mathbf{B}_{22} & = & \left(x_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(y_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(16j\right) & \text{O II} \\ \end{array} \]