AFLOW Prototype: AB3_mC16_15_e_cf
Prototype | : | H3Cl |
AFLOW prototype label | : | AB3_mC16_15_e_cf |
Strukturbericht designation | : | None |
Pearson symbol | : | mC16 |
Space group number | : | 15 |
Space group symbol | : | $C2/c$ |
AFLOW prototype command | : | aflow --proto=AB3_mC16_15_e_cf --params=$a$,$b/a$,$c/a$,$\beta$,$y_{2}$,$x_{3}$,$y_{3}$,$z_{3}$ |
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}_{2} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} & \left(4c\right) & \text{H I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{4}a+\frac{1}{2}c\cos\beta\right) \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + \frac{1}{2}c\sin\beta \, \mathbf{\hat{z}} & \left(4c\right) & \text{H I} \\ \mathbf{B}_{3} & = & -y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}c\cos\beta \, \mathbf{\hat{x}} + y_{2}b \, \mathbf{\hat{y}} + \frac{1}{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{Cl} \\ \mathbf{B}_{4} & = & y_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}c\cos\beta \, \mathbf{\hat{x}}-y_{2}b \, \mathbf{\hat{y}} + \frac{3}{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{Cl} \\ \mathbf{B}_{5} & = & \left(x_{3}-y_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}+y_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(x_{3}a+z_{3}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + z_{3}c\sin\beta \, \mathbf{\hat{z}} & \left(8f\right) & \text{H II} \\ \mathbf{B}_{6} & = & \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{3}a - z_{3}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{3}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(8f\right) & \text{H II} \\ \mathbf{B}_{7} & = & \left(-x_{3}+y_{3}\right) \, \mathbf{a}_{1} + \left(-x_{3}-y_{3}\right) \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \left(-x_{3}a-z_{3}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}}-z_{3}c\sin\beta \, \mathbf{\hat{z}} & \left(8f\right) & \text{H II} \\ \mathbf{B}_{8} & = & \left(x_{3}+y_{3}\right) \, \mathbf{a}_{1} + \left(x_{3}-y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{3}a + z_{3}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(8f\right) & \text{H II} \\ \end{array} \]