Bainite (Fe$_{3}$C) Structure: AB3_hP8_182_c_g-001
| Prototype | Fe$_{3}$C |
| AFLOW prototype label | AB3_hP8_182_c_g-001 |
| Mineral name | bainite |
| ICSD | none |
| Pearson symbol | hP8 |
| Space group number | 182 |
| Space group symbol | $P6_322$ |
| AFLOW prototype command |
aflow --proto=AB3_hP8_182_c_g-001
--params=$a, \allowbreak c/a, \allowbreak x_{2}$ |
Other compounds with this structure
$\epsilon$-Fe$_{3}$N
- Strictly speaking, bainite is a microstructure. However, (Villars, 1991) Vol. II, p. 1894, refers to this crystal structure as upper bainite, and (Villars, 2014) refers to this as bainite.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2c) | C I |
| $\mathbf{B_{2}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (2c) | C I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}$ | (6g) | Fe I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}$ | (6g) | Fe I |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (6g) | Fe I |
| $\mathbf{B_{6}}$ | = | $- x_{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{2} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (6g) | Fe I |
| $\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{2} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (6g) | Fe I |
| $\mathbf{B_{8}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (6g) | Fe I |
References
- M. Reibold, A. A. Levin, D. C. Meyer, P. Paufler, and W. Kochmann, Microstructure of a Damascene sabre after annealing, Int. J. Mater. Res. 97, 1172–1182 (2006), doi:10.3139/ijmr-2006-0184.
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
Prototype Generator
aflow --proto=AB3_hP8_182_c_g --params=$a,c/a,x_{2}$