AFLOW Prototype: A2B_hP9_180_j_c
Prototype | : | SiO2 |
AFLOW prototype label | : | A2B_hP9_180_j_c |
Strukturbericht designation | : | $C8$ |
Pearson symbol | : | hP9 |
Space group number | : | 180 |
Space group symbol | : | $\text{P6}_{2}\text{22}$ |
AFLOW prototype command | : | aflow --proto=A2B_hP9_180_j_c --params=$a$,$c/a$,$x_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1}& = &\frac12 \, \mathbf{a}_{1}& = &\frac14 \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}4 \, a \, \mathbf{\hat{y}}& \left(3c\right) & \text{Si} \\ \mathbf{B}_{2}& = &\frac12 \, \mathbf{a}_{2}+ \frac23 \, \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}4 \, a \, \mathbf{\hat{y}}+ \frac23 \, c \, \mathbf{\hat{z}}& \left(3c\right) & \text{Si} \\ \mathbf{B}_{3}& = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac13 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac13 \, c \, \mathbf{\hat{z}}& \left(3c\right) & \text{Si} \\ \mathbf{B}_{4}& = &x_{2} \, \mathbf{a}_{1}+ 2 x_{2} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac32 \, x_{2} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(6j\right) & \text{O} \\ \mathbf{B}_{5}& = &- 2 x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+ \frac16 \, \mathbf{a}_{3}& = &- \frac32 \, x_{2} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(6j\right) & \text{O} \\ \mathbf{B}_{6}& = &x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+ \frac56 \, \mathbf{a}_{3}& = &- \sqrt3 \, x_{2} \, a \, \mathbf{\hat{y}}+ \frac56 \, c \, \mathbf{\hat{z}}& \left(6j\right) & \text{O} \\ \mathbf{B}_{7}& = &- x_{2} \, \mathbf{a}_{1}- 2 x_{2} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &- \frac32 \, x_{2} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(6j\right) & \text{O} \\ \mathbf{B}_{8}& = &2 x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ \frac16 \, \mathbf{a}_{3}& = &\frac32 \, x_{2} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}}+ \frac16 \, c \, \mathbf{\hat{z}}& \left(6j\right) & \text{O} \\ \mathbf{B}_{9}& = &- x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ \frac56 \, \mathbf{a}_{3}& = &\sqrt3 \, x_{2} \, a \, \mathbf{\hat{y}}+ \frac56 \, c \, \mathbf{\hat{z}}& \left(6j\right) & \text{O} \\ \end{array} \]