AuMn Structure: AB_oP2_47_a_h-001
| Prototype | AuMn |
| AFLOW prototype label | AB_oP2_47_a_h-001 |
| Pearson symbol | oP2 |
| Space group number | 47 |
| Space group symbol | $Pmmm$ |
| AFLOW prototype command |
aflow --proto=AB_oP2_47_a_h-001
--params=$a, \allowbreak b/a, \allowbreak c/a$ |
- (Schubert, 1959) call this AuMn (Mn), and (Villars, 2018) shows it existing only on the manganese side of the phase diagram, while the gold-rich structure is not well determined. We present the ordered stoichiometric structure here, based on the comment in (Schubert, 1959) that this is an orthorhombic distortion of the $B2$ structure.
- Above 120K AuMn first transforms into a phase with uncertain structure, and above ≈ 300K it transforms into the CsCl ($B2$) structure (Villars,2018).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Au I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1h) | Mn I |
References
- K. Schubert, M. Balk, S. Bhan, H. Breimer, P. Esslinger, and E. Stolz, Einige strukturelle Ergebnisse an metallischen Phasen IV, Naturwissenschaften 46, 647–648 (1959), doi:10.1007/BF00637995.
Found in
- P. Villars, H. Okamoto, and K. Cenzual, eds., ASM Alloy Phase Diagram Database (ASM International, 2018), chap. Gold-Manganese Binary Phase Diagram (1990 Massalski T.B.). Copyright © 2006-2018 ASM International.
First cited in
- H. Eckert, S. Divilov, M. J. Mehl, D. Hicks, A. C. Zettel, M. Esters, X. Campilongo, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 4, Comp. Mat. Sci. 240, 112988 (2024). (doi=10.1016/j.commatsci.2021.110450)
Geometry files
Prototype Generator
aflow --proto=AB_oP2_47_a_h --params=$a,b/a,c/a$