AFLOW Prototype: ABCD_hP8_186_b_b_a_a
Prototype | : | CdClHO |
AFLOW prototype label | : | ABCD_hP8_186_b_b_a_a |
Strukturbericht designation | : | $E0_{3}$ |
Pearson symbol | : | hP8 |
Space group number | : | 186 |
Space group symbol | : | $P6_{3}mc$ |
AFLOW prototype command | : | aflow --proto=ABCD_hP8_186_b_b_a_a --params=$a$,$c/a$,$z_{1}$,$z_{2}$,$z_{3}$,$z_{4}$ |
H atom coordinates were calculated for Cd(OH)Cl.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{H} \\ \mathbf{B}_{2} & = & \left(\frac{1}{2} +z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(2a\right) & \text{H} \\ \mathbf{B}_{3} & = & z_{2} \, \mathbf{a}_{3} & = & z_{2}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{O} \\ \mathbf{B}_{4} & = & \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(2a\right) & \text{O} \\ \mathbf{B}_{5} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{Cd} \\ \mathbf{B}_{6} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(2b\right) & \text{Cd} \\ \mathbf{B}_{7} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{Cl} \\ \mathbf{B}_{8} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(2b\right) & \text{Cl} \\ \end{array} \]