AFLOW Prototype: A_cP20_213_cd
Prototype | : | $\beta$–Mn |
AFLOW prototype label | : | A_cP20_213_cd |
Strukturbericht designation | : | $A13$ |
Pearson symbol | : | cP20 |
Space group number | : | 213 |
Space group symbol | : | $\text{P4}_{1}\text{32}$ |
AFLOW prototype command | : | aflow --proto=A_cP20_213_cd --params=$a$,$x_{1}$,$y_{2}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = &x_{1} \, \mathbf{a}_{1}+ x_{1} \, \mathbf{a}_{2}+ x_{1} \, \mathbf{a}_{3}& = &x_{1} \, \, a \, \mathbf{\hat{x}}+ x_{1} \, \, a \, \mathbf{\hat{y}}+ x_{1} \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{2} & = &\left(\frac12 - x_{1}\right) \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}+ \left(\frac12 + x_{1}\right) \, \mathbf{a}_{3}& = &\left(\frac12 - x_{1}\right) \, \, a \, \mathbf{\hat{x}}- x_{1} \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 + x_{1}\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{3} & = &- x_{1} \, \mathbf{a}_{1}+ \left(\frac12 + x_{1}\right) \, \mathbf{a}_{2}+ \left(\frac12 - x_{1}\right) \, \mathbf{a}_{3}& = &- x_{1} \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 + x_{1}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_{1}\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{4} & = &\left(\frac12 + x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac12 - x_{1}\right) \, \mathbf{a}_{2}- x_{1} \, \mathbf{a}_{3}& = &\left(\frac12 + x_{1}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_{1}\right) \, \, a \, \mathbf{\hat{y}}- x_{1} \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{5} & = &\left(\frac34 + x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac14 + x_{1}\right) \, \mathbf{a}_{2}+ \left(\frac14 - x_{1}\right) \, \mathbf{a}_{3}& = &\left(\frac34 + x_{1}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac14 + x_{1}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac14 - x_{1}\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{6} & = &\left(\frac34 - x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac34 - x_{1}\right) \, \mathbf{a}_{2}+ \left(\frac34 - x_{1}\right) \, \mathbf{a}_{3}& = &\left(\frac34 - x_{1}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac34 - x_{1}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac34 - x_{1}\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{7} & = &\left(\frac14 + x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac14 - x_{1}\right) \, \mathbf{a}_{2}+ \left(\frac34 + x_{1}\right) \, \mathbf{a}_{3}& = &\left(\frac14 + x_{1}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac14 - x_{1}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac34 + x_{1}\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{8} & = &\left(\frac14 - x_{1}\right) \, \mathbf{a}_{1}+ \left(\frac34 + x_{1}\right) \, \mathbf{a}_{2}+ \left(\frac14 + x_{1}\right) \, \mathbf{a}_{3}& = &\left(\frac14 - x_{1}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac34 + x_{1}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac14 + x_{1}\right) \, \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{Mn I} \\ \mathbf{B}_{9} & = &\frac18 \, \mathbf{a}_{1}+ y_{2} \, \mathbf{a}_{2}+ \left(\frac14 + y_{2}\right) \, \mathbf{a}_{3}& = &\frac18 \, \, a \, \mathbf{\hat{x}}+ y_{2} \, \, a \, \mathbf{\hat{y}}+ \left(\frac14 + y_{2}\right) \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{10} & = &\frac38 \, \mathbf{a}_{1}- y_{2} \, \mathbf{a}_{2}+ \left(\frac34 + y_{2}\right) \, \mathbf{a}_{3}& = &\frac38 \, \, a \, \mathbf{\hat{x}}- y_{2} \, \, a \, \mathbf{\hat{y}}+ \left(\frac34 + y_{2}\right) \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{11} & = &\frac78 \, \mathbf{a}_{1}+ \left(\frac12 + y_{2}\right) \, \mathbf{a}_{2}+ \left(\frac14 - y_{2}\right) \, \mathbf{a}_{3}& = &\frac78 \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 + y_{2}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac14 - y_{2}\right) \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{12} & = &\frac58 \, \mathbf{a}_{1}+ \left(\frac12 - y_{2}\right) \, \mathbf{a}_{2}+ \left(\frac34 - y_{2}\right) \, \mathbf{a}_{3}& = &\frac58 \, \, a \, \mathbf{\hat{x}}+ \left(\frac12 - y_{2}\right) \, \, a \, \mathbf{\hat{y}}+ \left(\frac34 - y_{2}\right) \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{13} & = &\left(\frac14 + y_{2}\right) \, \mathbf{a}_{1}+ \frac18 \, \mathbf{a}_{2}+ y_{2} \, \mathbf{a}_{3}& = &\left(\frac14 + y_{2}\right) \, \, a \, \mathbf{\hat{x}}+ \frac18 \, \, a \, \mathbf{\hat{y}}+ y_{2} \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{14} & = &\left(\frac34 + y_{2}\right) \, \mathbf{a}_{1}+ \frac38 \, \mathbf{a}_{2}- y_{2} \, \mathbf{a}_{3}& = &\left(\frac34 + y_{2}\right) \, \, a \, \mathbf{\hat{x}}+ \frac38 \, \, a \, \mathbf{\hat{y}}- y_{2} \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{15} & = &\left(\frac14 - y_{2}\right) \, \mathbf{a}_{1}+ \frac78 \, \mathbf{a}_{2}+ \left(\frac12 + y_{2}\right) \, \mathbf{a}_{3}& = &\left(\frac14 - y_{2}\right) \, \, a \, \mathbf{\hat{x}}+ \frac78 \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 + y_{2}\right) \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{16} & = &\left(\frac34 - y_{2}\right) \, \mathbf{a}_{1}+ \frac58 \, \mathbf{a}_{2}+ \left(\frac12 - y_{2}\right) \, \mathbf{a}_{3}& = &\left(\frac34 - y_{2}\right) \, \, a \, \mathbf{\hat{x}}+ \frac58 \, \, a \, \mathbf{\hat{y}}+ \left(\frac12 - y_{2}\right) \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{17} & = &y_{2} \, \mathbf{a}_{1}+ \left(\frac14 + y_{2}\right) \, \mathbf{a}_{2}+ \frac18 \, \mathbf{a}_{3}& = &y_{2} \, \, a \, \mathbf{\hat{x}}+ \left(\frac14 + y_{2}\right) \, \, a \, \mathbf{\hat{y}}+ \frac18 \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{18} & = &- y_{2} \, \mathbf{a}_{1}+ \left(\frac34 + y_{2}\right) \, \mathbf{a}_{2}+ \frac38 \, \mathbf{a}_{3}& = &- y_{2} \, \, a \, \mathbf{\hat{x}}+ \left(\frac34 + y_{2}\right) \, \, a \, \mathbf{\hat{y}}+ \frac38 \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{19} & = &\left(\frac12 + y_{2}\right) \, \mathbf{a}_{1}+ \left(\frac14 - y_{2}\right) \, \mathbf{a}_{2}+ \frac78 \, \mathbf{a}_{3}& = &\left(\frac12 + y_{2}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac14 - y_{2}\right) \, \, a \, \mathbf{\hat{y}}+ \frac78 \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \mathbf{B}_{20} & = &\left(\frac12 - y_{2}\right) \, \mathbf{a}_{1}+ \left(\frac34 - y_{2}\right) \, \mathbf{a}_{2}+ \frac58 \, \mathbf{a}_{3}& = &\left(\frac12 - y_{2}\right) \, \, a \, \mathbf{\hat{x}}+ \left(\frac34 - y_{2}\right) \, \, a \, \mathbf{\hat{y}}+ \frac58 \, \, a \, \mathbf{\hat{z}}& \left(12d\right) & \text{Mn II} \\ \end{array} \]