AFLOW Prototype: A2B_hP9_150_ef_bd
Prototype | : | Fe2P |
AFLOW prototype label | : | A2B_hP9_150_ef_bd |
Strukturbericht designation | : | $C22$ |
Pearson symbol | : | hP9 |
Space group number | : | 150 |
Space group symbol | : | $\text{P321}$ |
AFLOW prototype command | : | aflow --proto=A2B_hP9_150_ef_bd --params=$a$,$c/a$,$z_{2}$,$x_{3}$,$x_{4}$ |
generally accepted for years, has recently been shown to be incorrect.(Vol I., 360) This corrected structure, as given in Pearson's Handbook, is given in the revised Fe2P page. When $z_{2}$ is set to zero this structure reverts to the revised Fe2P structure.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = &\frac12 \, \mathbf{a}_{3}& = &\frac12 \, c \, \mathbf{\hat{z}}& \left(1b\right) & \text{P I} \\ \mathbf{B}_{2} & = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2d\right) & \text{P II} \\ \mathbf{B}_{3} & = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}- \frac1{2\sqrt{3}} \, a \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2d\right) & \text{P II} \\ \mathbf{B}_{4} & = &x_{3} \, \mathbf{a}_{1}& =&\frac12 \, x_{3} \, a \, \mathbf{\hat{x}}- \frac{\sqrt{3}}{2} \, x_{3} \, a \, \mathbf{\hat{y}}& \left(3e\right) & \text{Fe I} \\ \mathbf{B}_{5} & = &x_{3} \, \mathbf{a}_{2}& =&\frac12 \, x_{3} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt{3}}{2} \, x_{3} \, a \, \mathbf{\hat{y}}& \left(3e\right) & \text{Fe I} \\ \mathbf{B}_{6} & = &- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}& =&- x_{3} \, a \, \mathbf{\hat{x}}& \left(3e\right) & \text{Fe I} \\ \mathbf{B}_{7} & = &x_{4} \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, x_{4} \, a \, \mathbf{\hat{x}}- \frac{\sqrt{3}}{2} \, x_{4} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3f\right) & \text{Fe II} \\ \mathbf{B}_{8} & = &x_{4} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, x_{4} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt{3}}{2} \, x_{4} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3f\right) & \text{Fe II} \\ \mathbf{B}_{9} & = &- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&- x_{4} \, a \, \mathbf{\hat{x}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(3f\right) & \text{Fe II} \\ \end{array} \]