AFLOW Prototype: A2B_hP9_189_fg_bc
Prototype | : | Fe2P |
AFLOW prototype label | : | A2B_hP9_189_fg_bc |
Strukturbericht designation | : | $C22$ |
Pearson symbol | : | hP9 |
Space group number | : | 189 |
Space group symbol | : | $\text{P}\bar{6}\text{2m}$ |
AFLOW prototype command | : | aflow --proto=A2B_hP9_189_fg_bc --params=$a$,$c/a$,$x_{3}$,$x_{4}$ |
generally accepted for years, has recently been shown to be incorrect. This is the corrected structure, as given in Wyckoff and (Villars, 1991). See the original Fe2P (C22) page for the Strukturbericht version of this crystal.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1}& = &\frac12 \, \mathbf{a}_{3}& = &\frac12 \, c \, \mathbf{\hat{z}}& \left(1b\right) & \text{P I} \\ \mathbf{B}_{2}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}& \left(2c\right) & \text{P II} \\ \mathbf{B}_{3}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}& \left(2c\right) & \text{P II} \\ \mathbf{B}_{4}& = &x_{3} \, \mathbf{a}_{1}& = &\frac12 \, x_{3} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}{2} \, x_{3} \, a \, \mathbf{\hat{y}}& \left(3f\right) & \text{Fe I} \\ \mathbf{B}_{5}& = &x_{3} \, \mathbf{a}_{2}& = &\frac12 \, x_{3} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}{2} \, x_{3} \, a \, \mathbf{\hat{y}}& \left(3f\right) & \text{Fe I} \\ \mathbf{B}_{6}& = &- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}& = &- x_{3} \, a \, \mathbf{\hat{x}}& \left(3f\right) & \text{Fe I} \\ \mathbf{B}_{7}& = &x_{4} \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, x_{4} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}{2} \, x_{4} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3g\right) & \text{Fe II} \\ \mathbf{B}_{8}& = &x_{4} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, x_{4} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}{2} \, x_{4} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3g\right) & \text{Fe II} \\ \mathbf{B}_{9}& = &- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &- x_{4} \, a \, \mathbf{\hat{x}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3g\right) & \text{Fe II} \\ \end{array} \]