Y$_{2}$Rh$_{3}$Ga Structure: AB3C2_hR6_166_a_d_c-001
| Prototype | GaRh$_{3}$Y$_{2}$ |
| AFLOW prototype label | AB3C2_hR6_166_a_d_c-001 |
| ICSD | 432339 |
| CCDC | 1791359 |
| Pearson symbol | hR6 |
| Space group number | 166 |
| Space group symbol | $R\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB3C2_hR6_166_a_d_c-001
--params=$a, \allowbreak c/a, \allowbreak x_{2}$ |
Other compounds with this structure
Ce$_{2}$Rh$_{3}$Ga, Dy$_{2}$Rh$_{3}$Ga, Er$_{2}$Rh$_{3}$Ga, Gd$_{2}$Rh$_{3}$Ga, Ho$_{2}$Rh$_{3}$Ga, La$_{2}$Rh$_{3}$Ga, Nd$_{2}$Rh$_{3}$Ga, Pr$_{2}$Rh$_{3}$Ga, Sm$_{2}$Rh$_{3}$Ga, Tb$_{2}$Rh$_{3}$Ga
- (Seidel, 2017) call this a rhombohedral Laves phase, a ternary varient of the MgZn$_{2}$ hexagonal Laves phase ($C14$).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{\sqrt{3}}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Ga I |
| $\mathbf{B_{2}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $c x_{2} \,\mathbf{\hat{z}}$ | (2c) | Y I |
| $\mathbf{B_{3}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- c x_{2} \,\mathbf{\hat{z}}$ | (2c) | Y I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{12}a \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3d) | Rh I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3d) | Rh I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{12}a \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3d) | Rh I |
References
- S. Seidel, O. Janka, C. Benndorf, B. Mausolf, F. Haarmann, H. Eckert, L. Heletta, and R. Pöttgen, Ternary rhombohedral Laves phases RE$_{2}$Rh$_{3}$Ga (RE = Y, La–Nd, Sm, Gd–Er), Z. Naturforsch. B 72, 289–303 (2017), doi:10.1515/znb-2016-0265.
Found in
- Inorganic Crystal Structure Database. Entry 432339 (Y2Rh3Ga).
First cited in
- N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).
Geometry files
Prototype Generator
aflow --proto=AB3C2_hR6_166_a_d_c --params=$a,c/a,x_{2}$