Fe4C Structure: AB4_cP5_215_a_e
| Prototype | : | Fe4C |
| AFLOW prototype label | : | AB4_cP5_215_a_e |
| Strukturbericht designation | : | None |
| Pearson symbol | : | cP5 |
| Space group number | : | 215 |
| Space group symbol | : | $\mbox{P}\bar{4}\mbox{3m}$ |
| AFLOW prototype command | : | aflow --proto=AB4_cP5_215_a_e --params=$a,x_{2}$ |
- When $x_{2} = 1/4$, the iron atoms are at the positions of the face-centered cubic lattice. In Fe4C, $x_{2}$ is about 0.265.
Simple Cubic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\
\mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & a \, \mathbf{\hat{z}}
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{C} \\ \mathbf{B}_{2} & = &x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ x_{2} \, \mathbf{a}_{3}& = &x_{2} \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}+ x_{2} \, a \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{Fe} \\ \mathbf{B}_{3} & = &- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+ x_{2} \, \mathbf{a}_{3}& = &- x_{2} \, a \, \mathbf{\hat{x}}- x_{2} \, a \, \mathbf{\hat{y}}+ x_{2} \, a \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{Fe} \\ \mathbf{B}_{4} & = &- x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}& = &- x_{2} \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}- x_{2} \, a \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{Fe} \\ \mathbf{B}_{5} & = &x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}& = &x_{2} \, a \, \mathbf{\hat{x}}- x_{2} \, a \, \mathbf{\hat{y}}- x_{2} \, a \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{Fe} \\ \end{array} \]References
- Z. G. Pinsker and S. V. Kaverin, Electron–Diffraction Determination of the Structure of Iron Carbide Fe4C, Soviet Physics–Crystallography, translated from Kristallografiya 1, 48–53 (1956).
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 1895.