Fe$_{4}$C Structure: AB4_cP5_215_a_e-001
| Prototype | CFe$_{4}$ |
| AFLOW prototype label | AB4_cP5_215_a_e-001 |
| ICSD | 44729 |
| Pearson symbol | cP5 |
| Space group number | 215 |
| Space group symbol | $P\overline{4}3m$ |
| AFLOW prototype command |
aflow --proto=AB4_cP5_215_a_e-001
--params=$a, \allowbreak x_{2}$ |
Other compounds with this structure
Co$_{4}$N, Fe$_{4}$N, Mn$_{4}$N
- When $x_{2} = 1/4$ the iron atoms are at the positions of the face-centered cubic lattice. In Fe$_{4}$C, $x_{2}$ is about 0.265.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | C I |
| $\mathbf{B_{2}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (4e) | Fe I |
| $\mathbf{B_{3}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (4e) | Fe I |
| $\mathbf{B_{4}}$ | = | $- x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (4e) | Fe I |
| $\mathbf{B_{5}}$ | = | $x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (4e) | Fe I |
References
- Z. G. Pinsker and S. V. Kaverin, Electron-Diffraction Determination of the Structure of Iron Carbide Fe$_4$C, Sov. Physics-Crystallogr., 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.
Prototype Generator
aflow --proto=AB4_cP5_215_a_e --params=$a,x_{2}$