AFLOW Prototype: AB2_hP3_164_a_d
Prototype | : | CdI2 |
AFLOW prototype label | : | AB2_hP3_164_a_d |
Strukturbericht designation | : | $C6$ |
Pearson symbol | : | hP3 |
Space group number | : | 164 |
Space group symbol | : | $\text{P}\bar{3}\text{m1}$ |
AFLOW prototype command | : | aflow --proto=AB2_hP3_164_a_d --params=$a$,$c/a$,$z_{2}$ |
$\omega$label comes from $\omega$–CrTi, (Ewald, 1931) lists the prototype for Strukturbericht designation C6 as CdI2.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \text{Cd} \\ \mathbf{B}_{2} & =& \frac13 \, \mathbf{a}_{1} + \frac23 \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}} +z_{2} \, c \, \mathbf{\hat{z}}& \left(2d\right) & \text{I} \\ \mathbf{B}_{3} & =& \frac23 \, \mathbf{a}_{1} + \frac13 \, \mathbf{a}_{2} - z_{2} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} - \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}} -z_{2} \, c \, \mathbf{\hat{z}}& \left(2d\right) & \text{I} \\ \end{array} \]