MoPt$_{2}$ Structure: AB2_oI6_71_a_e-001
Other compounds with this structure
NbPd$_{2}$, NbPt$_{2}$, TaPd$_{2}$, VNi$_{2}$, VPd$_{2}$, VPt$_{2}$
- The original references describe MoPt$_{2}$ and ReSi$_{2}$ in different orientations, so they have nominally different AFLOW prototype labels, AB2_oI6_71_a_g and AB2_oI6_71_a_i, respectively. When we apply our AFLOW prototype label rules, however, the label for both structures becomes AB2_oI6_71_a_e. The two structures are generated by the same symmetry operations with different sets of parameters (
--params) specified in their corresponding CIF files.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Mo I |
| $\mathbf{B_{2}}$ | = | $x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (4e) | Pt I |
| $\mathbf{B_{3}}$ | = | $- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (4e) | Pt I |
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).
Found in
- P. Villars, MoPt2 Crystal Structure (2016). PAULING FILE in: Inorganic Solid Phases, SpringerMaterials (online database), Springer, Heidelberg (ed.) SpringerMaterials.
First cited in
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
Geometry files
Prototype Generator
aflow --proto=AB2_oI6_71_a_e --params=$a,b/a,c/a,x_{2}$