K$_{2}$Hg$_{7}$ Structure: A7B2_hP9_164_ai_d-001
| Prototype | Hg$_{7}$K$_{2}$ |
| AFLOW prototype label | A7B2_hP9_164_ai_d-001 |
| ICSD | 107482 |
| Pearson symbol | hP9 |
| Space group number | 164 |
| Space group symbol | $P\overline{3}m1$ |
| AFLOW prototype command |
aflow --proto=A7B2_hP9_164_ai_d-001
--params=$a, \allowbreak c/a, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak z_{3}$ |
Other compounds with this structure
Rb$_{2}$Hg$_{7}$
- This is a binary form of the K$_{2}$GeF$_{6}$ ($J1_{13}$) Structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Hg I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ | (2d) | K I |
| $\mathbf{B_{3}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{2} \,\mathbf{\hat{z}}$ | (2d) | K I |
| $\mathbf{B_{4}}$ | = | $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $- \sqrt{3}a x_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (6i) | Hg II |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+2 x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{3}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (6i) | Hg II |
| $\mathbf{B_{6}}$ | = | $- 2 x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $- \frac{3}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (6i) | Hg II |
| $\mathbf{B_{7}}$ | = | $- x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $\sqrt{3}a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (6i) | Hg II |
| $\mathbf{B_{8}}$ | = | $2 x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $\frac{3}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (6i) | Hg II |
| $\mathbf{B_{9}}$ | = | $- x_{3} \, \mathbf{a}_{1}- 2 x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \frac{3}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (6i) | Hg II |
References
- E. Biehl and H. J. Deiseroth, K$_{2}$Hg$_{7}$ und Rb$_{2}$Hg$_{7}$, zwei Vertreter eines neuen Strukturtyps binärer intermetallischer Verbindungen, Z. Anorganische und Allgemeine Chemie 625, 1337–1342 (1999), doi:10.1002/(SICI)1521-3749(199908)625:8%3C1337::AID-ZAAC1337%3E3.0.CO;2-W.
Found in
- A. Jain, S. Ping, G. Hautier, W. Chen, W. D. R., S. Dacek, S. Cholia, D. Gunter, D. Skinner, G. Ceder, and K. A. Persson, Commentary: The Materials Project: A materials genome approach to accelerating materials innovation, APL Materials 1, 011002 (2013), doi:10.1063/1.4812323.
Prototype Generator
aflow --proto=A7B2_hP9_164_ai_d --params=$a,c/a,z_{2},x_{3},z_{3}$