AFLOW Prototype: A3BC_tP5_99_bc_a_b
Prototype | : | Pb(Zr0.52Ti0.48)O3 |
AFLOW prototype label | : | A3BC_tP5_99_bc_a_b |
Strukturbericht designation | : | None |
Pearson symbol | : | tP5 |
Space group number | : | 99 |
Space group symbol | : | $\text{P4mm}$ |
AFLOW prototype command | : | aflow --proto=A3BC_tP5_99_bc_a_b --params=$a$,$c/a$,$z_{1}$,$z_{2}$,$z_{3}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =&z_{1} \, \mathbf{a}_{3}& =&z_{1} \, c \, \mathbf{\hat{z}}& \left(1a\right) & \text{Pb} \\ \mathbf{B}_{2} & =&\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(1b\right) & \text{O I} \\ \mathbf{B}_{3} & =&\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(1b\right) & \text{Zr} \\ \mathbf{B}_{4} & =&\frac12 \, \mathbf{a}_{1}+ z_{4} \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \text{O II} \\ \mathbf{B}_{5} & =&\frac12 \, \mathbf{a}_{2}+ z_{4} \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{y}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \text{O II} \\ \end{array} \]