MoPt2 Structure: AB2_oI6_71_a_g

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Prototype : MoPt2
AFLOW prototype label : AB2_oI6_71_a_g
Strukturbericht designation : None
Pearson symbol : oI6
Space group number : 71
Space group symbol : $\mbox{Immm}$
AFLOW prototype command : aflow --proto=AB2_oI6_71_a_g
--params=
$a$,$b/a$,$c/a$,$y_{2}$


Body-centered Orthorhombic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B_1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Mo} \\ \mathbf{B}_{2} & =& y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{3}& =& y_{2} \, b \, \mathbf{\hat{y}}& \left(4g\right) & \mbox{Pt} \\ \mathbf{B}_{3} & =& - y_{2} \, \mathbf{a}_{1} - y_{2} \, \mathbf{a}_{3}& =& - y_{2} \, b \, \mathbf{\hat{y}}& \left(4g\right) & \mbox{Pt} \\ \end{array} \]

References

  • K. Schubert, W. Burkhardt, P. Esslinger, E. Günzel, H. G. Meissner, W. Schütt, J. Wegst, and M. Wilkens, Einige strukturelle Ergebnisse an metallischen Phasen, Naturwissenschaften 43, 248–249 (1956), doi:10.1007/BF00617585.

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=AB2_oI6_71_a_g --params=

Species:

Running:

Output: