Bainite (Fe3C) Structure: AB3_hP8_182_c_g

Picture of Structure; Click for Big Picture
Prototype : Fe3C
AFLOW prototype label : AB3_hP8_182_c_g
Strukturbericht designation : None
Pearson symbol : hP8
Space group number : 182
Space group symbol : $\mbox{P6}_{3}\mbox{22}$
AFLOW prototype command : aflow --proto=AB3_hP8_182_c_g
--params=
$a$,$c/a$,$x_{2}$


Other compounds with this structure

  • $\epsilon$-Fe3N

  • Strictly speaking, bainite is a microstructure. However, (Villars, 1991) Vol. II, 1894, refers to this crystal structure as upper bainite, and (Villars, 2014) refers to this as bainite.

Hexagonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{C} \\ \mathbf{B}_{2}& = &\frac23 \, \mathbf{a}_{1}+ \frac13 \, \mathbf{a}_{2}+ \frac34 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}- \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}+ \frac34 \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{C} \\ \mathbf{B}_{3}& = &x_{2} \, \mathbf{a}_{1}& = &\frac12 \, x_{2} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}2 \, x_{2} \, a \mathbf{\hat{y}}& \left(6g\right) & \mbox{Fe} \\ \mathbf{B}_{4}& = &x_{2} \, \mathbf{a}_{2}& = &\frac12 \, x_{2} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}2 \, x_{2} \, a \mathbf{\hat{y}}& \left(6g\right) & \mbox{Fe} \\ \mathbf{B}_{5}& = &- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}& = &- x_{2} \, a \, \mathbf{\hat{x}}& \left(6g\right) & \mbox{Fe} \\ \mathbf{B}_{6}& = &- x_{2} \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& = &- \frac12 \, x_{2} \, a \, \mathbf{\hat{x}}+ \frac{\sqrt3}2 \, x_{2} \, a \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(6g\right) & \mbox{Fe} \\ \mathbf{B}_{7}& = &- x_{2} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &- \frac12 \, x_{2} \, a \, \mathbf{\hat{x}}- \frac{\sqrt3}2 \, x_{2} \, a \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(6g\right) & \mbox{Fe} \\ \mathbf{B}_{8}& = &x_{2} \, \mathbf{a}_{1}+ x_{2} \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &+ x_{2} \, a \, \mathbf{\hat{x}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(6g\right) & \mbox{Fe} \\ \end{array} \]

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:10.3139/146.101355.
  • 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, Material Phases Data System ((MPDS), CH–6354 Vitznau, Switzerland, 2014). Accessed through the Springer Materials site.

Geometry files


Prototype Generator

aflow --proto=AB3_hP8_182_c_g --params=

Species:

Running:

Output: