Model of Austenite Structure (cF108): AB18C8_cF108_225_a_eh_f-001
| Prototype | CrFe$_{18}$MoNi$_{8}$ |
| AFLOW prototype label | AB18C8_cF108_225_a_eh_f-001 |
| ICSD | none |
| Pearson symbol | cF108 |
| Space group number | 225 |
| Space group symbol | $Fm\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB18C8_cF108_225_a_eh_f-001
--params=$a, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak y_{4}$ |
- Austenitic steels are alloys of iron and other metals with an averaged face-centered cubic structure. This model represents one approximation for an austenite steel.
- If we set $x_{2} = 1/3$, $x_{3} = 2/3$, and $y_{4} = 2/3$, the atoms are on the sites of an fcc lattice with lattice constant $a_{fcc} = a/3$.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (4a) | Cr I |
| $\mathbf{B_{2}}$ | = | $- x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (24e) | Fe I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (24e) | Fe I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{y}}$ | (24e) | Fe I |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{y}}$ | (24e) | Fe I |
| $\mathbf{B_{6}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{z}}$ | (24e) | Fe I |
| $\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{z}}$ | (24e) | Fe I |
| $\mathbf{B_{8}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{9}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- 3 x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{10}}$ | = | $x_{3} \, \mathbf{a}_{1}- 3 x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{11}}$ | = | $- 3 x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{12}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+3 x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{13}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{14}}$ | = | $- x_{3} \, \mathbf{a}_{1}+3 x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{15}}$ | = | $3 x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (32f) | Ni I |
| $\mathbf{B_{16}}$ | = | $2 y_{4} \, \mathbf{a}_{1}$ | = | $a y_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{17}}$ | = | $2 y_{4} \, \mathbf{a}_{2}- 2 y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{18}}$ | = | $- 2 y_{4} \, \mathbf{a}_{2}+2 y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{19}}$ | = | $- 2 y_{4} \, \mathbf{a}_{1}$ | = | $- a y_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{20}}$ | = | $2 y_{4} \, \mathbf{a}_{2}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{21}}$ | = | $- 2 y_{4} \, \mathbf{a}_{1}+2 y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{22}}$ | = | $2 y_{4} \, \mathbf{a}_{1}- 2 y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{23}}$ | = | $- 2 y_{4} \, \mathbf{a}_{2}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{z}}$ | (48h) | Fe II |
| $\mathbf{B_{24}}$ | = | $2 y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}$ | (48h) | Fe II |
| $\mathbf{B_{25}}$ | = | $2 y_{4} \, \mathbf{a}_{1}- 2 y_{4} \, \mathbf{a}_{2}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}$ | (48h) | Fe II |
| $\mathbf{B_{26}}$ | = | $- 2 y_{4} \, \mathbf{a}_{1}+2 y_{4} \, \mathbf{a}_{2}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}$ | (48h) | Fe II |
| $\mathbf{B_{27}}$ | = | $- 2 y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}$ | (48h) | Fe II |
References
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. Hart, and S. Curtarolo, The AFLOW library of crystallographic prototypes: part 1, Comput. Mater. Sci. 136, S1–S828 (2017), doi:10.1016/j.commatsci.2017.01.017.
Prototype Generator
aflow --proto=AB18C8_cF108_225_a_eh_f --params=$a,x_{2},x_{3},y_{4}$