AFLOW Prototype: A3B_hP8_185_c_a
Prototype | : | RuCl3 |
AFLOW prototype label | : | A3B_hP8_185_c_a |
Strukturbericht designation | : | None |
Pearson symbol | : | hP8 |
Space group number | : | 185 |
Space group symbol | : | $P6_{3}cm$ |
AFLOW prototype command | : | aflow --proto=A3B_hP8_185_c_a --params=$a$,$c/a$,$z_{1}$,$x_{2}$,$z_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{Ru} \\ \mathbf{B}_{2} & = & \left(\frac{1}{2} +z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(2a\right) & \text{Ru} \\ \mathbf{B}_{3} & = & x_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}x_{2}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{Cl} \\ \mathbf{B}_{4} & = & x_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}x_{2}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{Cl} \\ \mathbf{B}_{5} & = & -x_{2} \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}} + z_{2}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{Cl} \\ \mathbf{B}_{6} & = & -x_{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & -\frac{1}{2}x_{2}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{Cl} \\ \mathbf{B}_{7} & = & -x_{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & -\frac{1}{2}x_{2}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{Cl} \\ \mathbf{B}_{8} & = & x_{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{Cl} \\ \end{array} \]