AFLOW Prototype: A10B2C_hP39_171_5c_c_a
Prototype | : | O10S2Sr |
AFLOW prototype label | : | A10B2C_hP39_171_5c_c_a |
Strukturbericht designation | : | None |
Pearson symbol | : | hP39 |
Space group number | : | 171 |
Space group symbol | : | $P6_{2}$ |
AFLOW prototype command | : | aflow --proto=A10B2C_hP39_171_5c_c_a --params=$a$,$c/a$,$z_{1}$,$x_{2}$,$y_{2}$,$z_{2}$,$x_{3}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$,$x_{6}$,$y_{6}$,$z_{6}$,$x_{7}$,$y_{7}$,$z_{7}$ |
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(3a\right) & \text{Sr} \\ \mathbf{B}_{2} & = & \left(\frac{2}{3} +z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{2}{3} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(3a\right) & \text{Sr} \\ \mathbf{B}_{3} & = & \left(\frac{1}{3} +z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{3} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(3a\right) & \text{Sr} \\ \mathbf{B}_{4} & = & x_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{2}+y_{2}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{2}+y_{2}\right)a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O I} \\ \mathbf{B}_{5} & = & -y_{2} \, \mathbf{a}_{1} + \left(x_{2}-y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{2}-y_{2}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{2}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O I} \\ \mathbf{B}_{6} & = & \left(-x_{2}+y_{2}\right) \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(-x_{2}+\frac{1}{2}y_{2}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O I} \\ \mathbf{B}_{7} & = & -x_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & -\frac{1}{2}\left(x_{2}+y_{2}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{2}-y_{2}\right)a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O I} \\ \mathbf{B}_{8} & = & y_{2} \, \mathbf{a}_{1} + \left(-x_{2}+y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(-\frac{1}{2}x_{2}+y_{2}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{2}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O I} \\ \mathbf{B}_{9} & = & \left(x_{2}-y_{2}\right) \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(x_{2}-\frac{1}{2}y_{2}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O I} \\ \mathbf{B}_{10} & = & x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{3}+y_{3}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{3}+y_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O II} \\ \mathbf{B}_{11} & = & -y_{3} \, \mathbf{a}_{1} + \left(x_{3}-y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{3}-y_{3}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O II} \\ \mathbf{B}_{12} & = & \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(-x_{3}+\frac{1}{2}y_{3}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O II} \\ \mathbf{B}_{13} & = & -x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -\frac{1}{2}\left(x_{3}+y_{3}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{3}-y_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O II} \\ \mathbf{B}_{14} & = & y_{3} \, \mathbf{a}_{1} + \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(-\frac{1}{2}x_{3}+y_{3}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{3}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O II} \\ \mathbf{B}_{15} & = & \left(x_{3}-y_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(x_{3}-\frac{1}{2}y_{3}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O II} \\ \mathbf{B}_{16} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{4}+y_{4}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{4}+y_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O III} \\ \mathbf{B}_{17} & = & -y_{4} \, \mathbf{a}_{1} + \left(x_{4}-y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{4}-y_{4}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{4}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O III} \\ \mathbf{B}_{18} & = & \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(-x_{4}+\frac{1}{2}y_{4}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O III} \\ \mathbf{B}_{19} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & -\frac{1}{2}\left(x_{4}+y_{4}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{4}-y_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O III} \\ \mathbf{B}_{20} & = & y_{4} \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(-\frac{1}{2}x_{4}+y_{4}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{4}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O III} \\ \mathbf{B}_{21} & = & \left(x_{4}-y_{4}\right) \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(x_{4}-\frac{1}{2}y_{4}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O III} \\ \mathbf{B}_{22} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{5}+y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{5}+y_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O IV} \\ \mathbf{B}_{23} & = & -y_{5} \, \mathbf{a}_{1} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{5}-y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{5}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O IV} \\ \mathbf{B}_{24} & = & \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(-x_{5}+\frac{1}{2}y_{5}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O IV} \\ \mathbf{B}_{25} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & -\frac{1}{2}\left(x_{5}+y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{5}-y_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O IV} \\ \mathbf{B}_{26} & = & y_{5} \, \mathbf{a}_{1} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(-\frac{1}{2}x_{5}+y_{5}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{5}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O IV} \\ \mathbf{B}_{27} & = & \left(x_{5}-y_{5}\right) \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(x_{5}-\frac{1}{2}y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O IV} \\ \mathbf{B}_{28} & = & x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{6}+y_{6}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{6}+y_{6}\right)a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O V} \\ \mathbf{B}_{29} & = & -y_{6} \, \mathbf{a}_{1} + \left(x_{6}-y_{6}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{6}-y_{6}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{6}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O V} \\ \mathbf{B}_{30} & = & \left(-x_{6}+y_{6}\right) \, \mathbf{a}_{1}-x_{6} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(-x_{6}+\frac{1}{2}y_{6}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{6}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O V} \\ \mathbf{B}_{31} & = & -x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & -\frac{1}{2}\left(x_{6}+y_{6}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{6}-y_{6}\right)a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O V} \\ \mathbf{B}_{32} & = & y_{6} \, \mathbf{a}_{1} + \left(-x_{6}+y_{6}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(-\frac{1}{2}x_{6}+y_{6}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{6}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O V} \\ \mathbf{B}_{33} & = & \left(x_{6}-y_{6}\right) \, \mathbf{a}_{1} + x_{6} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(x_{6}-\frac{1}{2}y_{6}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{6}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{O V} \\ \mathbf{B}_{34} & = & x_{7} \, \mathbf{a}_{1} + y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{7}+y_{7}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{7}+y_{7}\right)a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{S} \\ \mathbf{B}_{35} & = & -y_{7} \, \mathbf{a}_{1} + \left(x_{7}-y_{7}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{7}-y_{7}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{7}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{S} \\ \mathbf{B}_{36} & = & \left(-x_{7}+y_{7}\right) \, \mathbf{a}_{1}-x_{7} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(-x_{7}+\frac{1}{2}y_{7}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{7}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{S} \\ \mathbf{B}_{37} & = & -x_{7} \, \mathbf{a}_{1}-y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & -\frac{1}{2}\left(x_{7}+y_{7}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{7}-y_{7}\right)a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(6c\right) & \text{S} \\ \mathbf{B}_{38} & = & y_{7} \, \mathbf{a}_{1} + \left(-x_{7}+y_{7}\right) \, \mathbf{a}_{2} + \left(\frac{2}{3} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(-\frac{1}{2}x_{7}+y_{7}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{7}a \, \mathbf{\hat{y}} + \left(\frac{2}{3} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{S} \\ \mathbf{B}_{39} & = & \left(x_{7}-y_{7}\right) \, \mathbf{a}_{1} + x_{7} \, \mathbf{a}_{2} + \left(\frac{1}{3} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(x_{7}-\frac{1}{2}y_{7}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{7}a \, \mathbf{\hat{y}} + \left(\frac{1}{3} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(6c\right) & \text{S} \\ \end{array} \]