HfCuSi$_{2}$ Structure: ABC2_tP8_129_a_c_bc-002
| Prototype | CuHfSi$_{2}$ |
| AFLOW prototype label | ABC2_tP8_129_a_c_bc-002 |
| ICSD | 87174 |
| Pearson symbol | tP8 |
| Space group number | 129 |
| Space group symbol | $P4/nmm$ |
| AFLOW prototype command |
aflow --proto=ABC2_tP8_129_a_c_bc-002
--params=$a, \allowbreak c/a, \allowbreak z_{3}, \allowbreak z_{4}$ |
Other compounds with this structure
CeAsSb$_{2}$, DyZnSn$_{2}$, ErZnSn$_{2}$, GdZnSn$_{2}$, HfCuGe$_{2}$, HfCuSi$_{2}$, HoZnSn$_{2}$, LaAsSb$_{2}$, LuSn$_{2}$, TmZnSn$_{2}$, YZnSn$_{2}$, YbMnBi$_{2}$, YbMnSb$_{2}$, ZrCuGe$_{2}$, ZrCuSi$_{2}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ | (2a) | Cu I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}$ | (2a) | Cu I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Si I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Si I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (2c) | Hf I |
| $\mathbf{B_{6}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (2c) | Hf I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (2c) | Si II |
| $\mathbf{B_{8}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (2c) | Si II |
References
- L. S. Andrukhiv, L. A. Lysenko, Y. P. Yarmolyuk, and E. I. Gladyshevskii, On structure of the compounds HfCuSi$_{2}$, HfCuGe$_{2}$, ZrCuSi$_{2}$ and ZrCuGe$_{2}$, Dopov. Akad. Nauk Ukr. RSR, Ser. A pp. 645–648 (1975).
Found in
- M. W. Pohlkamp and W. Jeitschko, Preparation, Properties, and Crystal Structure of Quaternary Silicide Carbides RCr$_{2}$Si$_{2}$C (R = Y, La-Nd, Sm, Gd-Ho), Z. Naturforsch. B 56, 1143–1148 (2001), doi:10.1515/znb-2001-1108.
Prototype Generator
aflow --proto=ABC2_tP8_129_a_c_bc --params=$a,c/a,z_{3},z_{4}$