AFLOW Prototype: A2B3C7D_oP13_47_t_aq_eqrs_h
Prototype | : | YBa2Cu3O7–x |
AFLOW prototype label | : | A2B3C7D_oP13_47_t_aq_eqrs_h |
Strukturbericht designation | : | None |
Pearson symbol | : | oP13 |
Space group number | : | 47 |
Space group symbol | : | $\text{Pmmm}$ |
AFLOW prototype command | : | aflow --proto=A2B3C7D_oP13_47_t_aq_eqrs_h --params=$a$,$b/a$,$c/a$,$z_{4}$,$z_{5}$,$z_{6}$,$z_{7}$,$z_{8}$ |
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{Cu I} \\ \mathbf{B}_{2} & =& \frac12 \, \mathbf{a}_{2}& =& \frac12 \, b \, \mathbf{\hat{y}}& \left(1e\right) & \text{O I} \\ \mathbf{B}_{3} & =& \frac12 \, \mathbf{a}_{1} + \frac12 \, \mathbf{a}_{2} + \frac12 \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(1h\right) & \text{Y} \\ \mathbf{B}_{4} & =& z_{4} \, \mathbf{a}_{3}& =& z_{4} \, c \, \mathbf{\hat{z}}& \left(2q\right) & \text{Cu II} \\ \mathbf{B}_{5} & =& - z_{4} \, \mathbf{a}_{3}& =& - z_{4} \, c \, \mathbf{\hat{z}}& \left(2q\right) & \text{Cu II} \\ \mathbf{B}_{6} & =& z_{5} \, \mathbf{a}_{3}& =& z_{5} \, c \, \mathbf{\hat{z}}& \left(2q\right) & \text{O II} \\ \mathbf{B}_{7} & =& - z_{5} \, \mathbf{a}_{3}& =& - z_{5} \, c \, \mathbf{\hat{z}}& \left(2q\right) & \text{O II} \\ \mathbf{B}_{8} & =& \frac12 \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3}& =& \frac12 \, b \, \mathbf{\hat{y}} + z_{6} \, c \, \mathbf{\hat{z}}& \left(2r\right) & \text{O III} \\ \mathbf{B}_{9} & =& \frac12 \, \mathbf{a}_{2} - z_{6} \, \mathbf{a}_{3}& =& \frac12 \, b \, \mathbf{\hat{y}} - z_{6} \, c \, \mathbf{\hat{z}}& \left(2r\right) & \text{O III} \\ \mathbf{B}_{10} & =& \frac12 \, \mathbf{a}_{1} + z_{7} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + z_{7} \, c \, \mathbf{\hat{z}}& \left(2s\right) & \text{O IV} \\ \mathbf{B}_{11} & =& \frac12 \, \mathbf{a}_{1} - z_{7} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} - z_{7} \, c \, \mathbf{\hat{z}}& \left(2s\right) & \text{O IV} \\ \mathbf{B}_{12} & =& \frac12 \, \mathbf{a}_{1} + \frac12 \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} + z_{8} \, c \, \mathbf{\hat{z}}& \left(2t\right) & \text{Ba} \\ \mathbf{B}_{13} & =& \frac12 \, \mathbf{a}_{1} + \frac12 \, \mathbf{a}_{2} - z_{8} \, \mathbf{a}_{3}& =& \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} - z_{8} \, c \, \mathbf{\hat{z}}& \left(2t\right) & \text{Ba} \\ \end{array} \]