Zlatogorite (CuNiSb$_{2}$) Structure: ABC2_hP4_164_a_b_d-001
| Prototype | CuNiSb$_{2}$ |
| AFLOW prototype label | ABC2_hP4_164_a_b_d-001 |
| Mineral name | zlatogorite |
| ICSD | 134019 |
| Pearson symbol | hP4 |
| Space group number | 164 |
| Space group symbol | $P\overline{3}m1$ |
| AFLOW prototype command |
aflow --proto=ABC2_hP4_164_a_b_d-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}$ |
- Although we use the data from (Kift, 2010), the ICSD entry is from (Skaggs, 2020).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Cu I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1b) | Ni I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (2d) | Sb I |
| $\mathbf{B_{4}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (2d) | Sb I |
References
- R. L. Kift, Intermetallic Compounds by Reductive Annealing, Ph.D. thesis, University of Hull (2010).
- C. M. Skaggs, C.-J. Kang, C. J. Perez, J. Hadermann, T. J. Emge, C. E. Frank, C. Pak, S. H. Lapidus, D. Walker, G. Kotliar, S. M. Kauzlarich, X. Tan, and M. Greenblatt, Ambient and High Pressure CuNiSb$_{2}$: Metal-Ordered and Metal-Disordered NiAs-Type Derivative Pnictides, Inorg. Chem. 59, 14058–14069 (2020), doi:10.1021/acs.inorgchem.0c01848.
Prototype Generator
aflow --proto=ABC2_hP4_164_a_b_d --params=$a,c/a,z_{3}$