Cooperite (PtS, $B17$) Structure: AB_tP4_131_c_e-001
| Prototype | PtS |
| AFLOW prototype label | AB_tP4_131_c_e-001 |
| Strukturbericht designation | $B17$ |
| Mineral name | cooperite |
| ICSD | 654379 |
| CCDC | 1765748 |
| Pearson symbol | tP4 |
| Space group number | 131 |
| Space group symbol | $P4_2/mmc$ |
| AFLOW prototype command |
aflow --proto=AB_tP4_131_c_e-001
--params=$a, \allowbreak c/a$ |
Other compounds with this structure
PdO (palladinite)
- Actual samples of cooperite have the chemical formula PtS$_{x}$, with $0.9 < x < 1.1$. If there is an excess of platinum, these atoms subsitute for sulfur on the (2e) site, and excess sulfur substitutes for platinum on the (2c) site.
- Previous versions of this page incorrectly used a = 4.9073Å. We have changed this to the correct value of 3.47Å. We thank Dr. Frank Hoffmann of the University of Hamburg for point out this error.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (2c) | Pt I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2c) | Pt I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2e) | S I |
| $\mathbf{B_{4}}$ | = | $\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}c \,\mathbf{\hat{z}}$ | (2e) | S I |
References
- F. Gronvold, H. Haraldsen, and A. Kjekshus, On the Sulfides, Selenides and Tellurides of Platinum, Acta Chem. Scand. 14, 1879–1893 (1960), doi:10.3891/acta.chem.scand.14-1879.
First cited in
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
Geometry files
Prototype Generator
aflow --proto=AB_tP4_131_c_e --params=$a,c/a$