Zr$_{2}$CuSb$_{3}$ Structure: AB3C2_tP6_115_a_bg_g-001
| Prototype | CuSb$_{3}$Zr$_{2}$ |
| AFLOW prototype label | AB3C2_tP6_115_a_bg_g-001 |
| ICSD | 93242 |
| Pearson symbol | tP6 |
| Space group number | 115 |
| Space group symbol | $P\overline{4}m2$ |
| AFLOW prototype command |
aflow --proto=AB3C2_tP6_115_a_bg_g-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}, \allowbreak z_{4}$ |
Other compounds with this structure
Hf$_{2}$CuSb$_{3}$, Hf$_{2}$GaSb$_{3}$, Ti$_{2}$CuSb$_{3}$, Zr$_{2}$PdSb$_{3}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Cu I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (1b) | Sb I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (2g) | Sb II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- c z_{3} \,\mathbf{\hat{z}}$ | (2g) | Sb II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (2g) | Zr I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- c z_{4} \,\mathbf{\hat{z}}$ | (2g) | Zr I |
References
- N. Koblyuk, G. Melnyk, L. Romaka, O. I. Bodak, and D. Fruchart, Crystal structure of Zr$_{2}$CuSb$_{3}$ and related compounds}, J. Alloys Compd. \textbf{317-318, 284–286 (2001), doi:10.1016/S0925-8388(00)01349-9.
Prototype Generator
aflow --proto=AB3C2_tP6_115_a_bg_g --params=$a,c/a,z_{3},z_{4}$