AFLOW Prototype: A8B_tI18_139_deh_a
Prototype | : | Fe8N |
AFLOW prototype label | : | A8B_tI18_139_deh_a |
Strukturbericht designation | : | $D2_{g}$ |
Pearson symbol | : | tI18 |
Space group number | : | 139 |
Space group symbol | : | $I4/mmm$ |
AFLOW prototype command | : | aflow --proto=A8B_tI18_139_deh_a --params=$a$,$c/a$,$z_{3}$,$x_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{N} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Fe I} \\ \mathbf{B}_{3} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Fe I} \\ \mathbf{B}_{4} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Fe II} \\ \mathbf{B}_{5} & = & -z_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Fe II} \\ \mathbf{B}_{6} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + 2x_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Fe III} \\ \mathbf{B}_{7} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2}-2x_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Fe III} \\ \mathbf{B}_{8} & = & x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Fe III} \\ \mathbf{B}_{9} & = & -x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \text{Fe III} \\ \end{array} \]$\alpha$‘‘–Fe$_{16}$N$_{2}$containing reisdual $\alpha$–Fe prepared by low–temperature ammonia nitridation, J. Solid State Chem. 194, 76–79 (2012), doi:10.1016/j.jssc.2012.07.025.