Mn$_{2}$RhSn Tetragonal Heusler Structure: A2BC_tI8_119_ac_b_d-001
| Prototype | Mn$_{2}$RhSn |
| AFLOW prototype label | A2BC_tI8_119_ac_b_d-001 |
| Pearson symbol | tI8 |
| Space group number | 119 |
| Space group symbol | $I\overline{4}m2$ |
| AFLOW prototype command |
aflow --proto=A2BC_tI8_119_ac_b_d-001
--params=$a, \allowbreak c/a$ |
Other compounds with this structure
Mn$_{2}$PtIn, Mn$_{3}$Ga, Rh$_{2}$CrSn, Rh$_{2}$FeSn, Mn$_{2-x}$Rh$_{1+x}$Sn, Mn$_{2}$Rh$_{x}$Co$_{1-x}$Sn
- (Alijani, 2013) describe this as a tetragonal inverse Heusler compound. This is likely an idealized version of the structure, as the atoms are all assumed to sit on high-symmetry Wyckoff positions.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Mn I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Rh I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2c) | Mn II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2d) | Sn I |
References
- V. Alijani, O. Meshcheriakova, J. Winterlik, G. Kreiner, G. H. Fecher, and C. Felser, Increasing Curie temperature in tetragonal Mn$_{2}$RhSn Heusler compound through substitution of Rh by Co and Mn by Rh, J. Appl. Phys. 113, 063904 (2013), doi:10.1063/1.4791564.
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=A2BC_tI8_119_ac_b_d --params=$a,c/a$