K$_{2}$PtCl$_{4}$ ($H1_{5}$) Structure: A4B2C_tP7_123_j_e_a-001
| Prototype | Cl$_{4}$K$_{2}$Pt |
| AFLOW prototype label | A4B2C_tP7_123_j_e_a-001 |
| Strukturbericht designation | $H1_{5}$ |
| ICSD | 2722 |
| CCDC | 1592532 |
| Pearson symbol | tP7 |
| Space group number | 123 |
| Space group symbol | $P4/mmm$ |
| AFLOW prototype command |
aflow --proto=A4B2C_tP7_123_j_e_a-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}$ |
Other compounds with this structure
K$_{2}$PdCl$_{4}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Pt I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2e) | K I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2e) | K I |
| $\mathbf{B_{4}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}$ | (4j) | Cl I |
| $\mathbf{B_{5}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}$ | (4j) | Cl I |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}$ | (4j) | Cl I |
| $\mathbf{B_{7}}$ | = | $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}$ | (4j) | Cl I |
References
- R. H. B. Mais, P. G. Owston, and A. Wood, The crystal structure of K$_{2}$PtCl$_{4}$ and K$_{2}$PdCl$_{4}$ with estimates of the factors affecting accuracy, Acta Crystallogr. Sect. B 28, 393–399 (1972), doi:10.1107/S0567740872002468.
First cited in
- D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)
Geometry files
Prototype Generator
aflow --proto=A4B2C_tP7_123_j_e_a --params=$a,c/a,x_{3}$