AFLOW Prototype: A4BC4D_tP10_123_gh_a_i_d
Prototype | : | CaRbFe4As4 |
AFLOW prototype label | : | A4BC4D_tP10_123_gh_a_i_d |
Strukturbericht designation | : | None |
Pearson symbol | : | tP10 |
Space group number | : | 123 |
Space group symbol | : | $P4/mmm$ |
AFLOW prototype command | : | aflow --proto=A4BC4D_tP10_123_gh_a_i_d --params=$a$,$c/a$,$z_{3}$,$z_{4}$,$z_{5}$ |
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{Ca} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(1d\right) & \text{Rb} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{3} & = & z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \text{As I} \\ \mathbf{B}_{4} & = & -z_{3} \, \mathbf{a}_{3} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \text{As I} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(2h\right) & \text{As II} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(2h\right) & \text{As II} \\ \mathbf{B}_{7} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \text{Fe} \\ \mathbf{B}_{8} & = & \frac{1}{2} \, \mathbf{a}_{1} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \text{Fe} \\ \mathbf{B}_{9} & = & \frac{1}{2} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \text{Fe} \\ \mathbf{B}_{10} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{5}c \, \mathbf{\hat{z}} & \left(4i\right) & \text{Fe} \\ \end{array} \]