FeNi Structure: AB_mP4_6_2b_2a

Picture of Structure; Click for Big Picture
Prototype : FeNi
AFLOW prototype label : AB_mP4_6_2b_2a
Strukturbericht designation : None
Pearson symbol : mP4
Space group number : 6
Space group symbol : $Pm$
AFLOW prototype command : aflow --proto=AB_mP4_6_2b_2a
--params=
$a$,$b/a$,$c/a$,$\beta$,$x_{1}$,$z_{1}$,$x_{2}$,$z_{2}$,$x_{3}$,$z_{3}$,$x_{4}$,$z_{4}$


  • In the original the site occupations are mixed with Ni majority (0.85) on sites 1a and Fe majority on 1b.

Simple Monoclinic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \cos\beta \, \mathbf{\hat{x}} + c \sin\beta \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & x_{1} \, \mathbf{a}_{1} + z_{1} \, \mathbf{a}_{3} & = & \left(x_{1}a+z_{1}c\cos\beta\right) \, \mathbf{\hat{x}} + z_{1}c\sin\beta \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Ni I} \\ \mathbf{B}_{2} & = & x_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{3} & = & \left(x_{2}a+z_{2}c\cos\beta\right) \, \mathbf{\hat{x}} + z_{2}c\sin\beta \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Ni II} \\ \mathbf{B}_{3} & = & x_{3} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(x_{3}a+z_{3}c\cos\beta\right) \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} + z_{3}c\sin\beta \, \mathbf{\hat{z}} & \left(1b\right) & \mbox{Fe I} \\ \mathbf{B}_{4} & = & x_{4} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(x_{4}a+z_{4}c\cos\beta\right) \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} + z_{4}c\sin\beta \, \mathbf{\hat{z}} & \left(1b\right) & \mbox{Fe II} \\ \end{array} \]

References

  • T. Tagai, H. Takeda, and T. Fukuda, Superstructure of tetrataenite from the Saint Severin meteorite, Zeitschrift für Kristallographie – Crystalline Materials 210, 14–18 (1995), doi:10.1524/zkri.1995.210.1.14.

Found in

  • P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).

Geometry files


Prototype Generator

aflow --proto=AB_mP4_6_2b_2a --params=

Species:

Running:

Output: