Fe4C Structure: AB4_cP5_215_a_e

Picture of Structure; Click for Big Picture
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.

Geometry files


Prototype Generator

aflow --proto=AB4_cP5_215_a_e --params=

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