Calomel (Hg2Cl2, $D3_{1}$) Structure: AB_tI8_139_e_e
| Prototype | : | Hg2Cl2 |
| AFLOW prototype label | : | AB_tI8_139_e_e |
| Strukturbericht designation | : | $D3_{1}$ |
| Pearson symbol | : | tI8 |
| Space group number | : | 139 |
| Space group symbol | : | $I4/mmm$ |
| AFLOW prototype command | : | aflow --proto=AB_tI8_139_e_e --params=$a,c/a,z_{1},z_{2}$ |
Body-centered Tetragonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\
\mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\
\mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{1} + z_{1} \, \mathbf{a}_{2} & = & z_{1}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Cl} \\ \mathbf{B}_{2} & = & -z_{1} \, \mathbf{a}_{1}-z_{1} \, \mathbf{a}_{2} & = & -z_{1}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Cl} \\ \mathbf{B}_{3} & = & z_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2} & = & z_{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Hg} \\ \mathbf{B}_{4} & = & -z_{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{2} & = & -z_{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{Hg} \\ \end{array} \]References
- N. J. Calos, C. H. L. Kennard, and R. L. Davis, The structure of calomel, Hg2Cl2, derived from neutron powder data, Zeitschrift für Kristallographie – Crystalline Materials 187, 305–307 (1989), doi:10.1524/zkri.1989.187.14.305.
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).