Cinnabar (B9) Structure: AB_hP6_154_a_b
| Prototype | : | HgS |
| AFLOW prototype label | : | AB_hP6_154_a_b |
| Strukturbericht designation | : | $B9$ |
| Pearson symbol | : | hP6 |
| Space group number | : | 154 |
| Space group symbol | : | $\mbox{P3}_{2}\mbox{21}$ |
| AFLOW prototype command | : | aflow --proto=AB_hP6_154_a_b --params=$a,c/a,x_{1},x_{2}$ |
Other compounds with this structure
- HgO
Trigonal Hexagonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =& x_{1} \, \mathbf{a}_{1} + \frac23 \, \mathbf{a}_{3}& =& \frac12 \, x_{1} \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, x_{1} \, a \, \mathbf{\hat{y}} +\frac23 \, c \, \mathbf{\hat{z}}& \left(3a\right) & \mbox{Hg} \\ \mathbf{B}_{2} & =& x_{1} \, \mathbf{a}_{2} + \frac13 \, \mathbf{a}_{3}& =& \frac12 \, x_{1} \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, x_{1} \, a \, \mathbf{\hat{y}} +\frac13 \, c \, \mathbf{\hat{z}}& \left(3a\right) & \mbox{Hg} \\ \mathbf{B}_{3} & =& - x_{1} \, \mathbf{a}_{1} - x_{1} \, \mathbf{a}_{2}& =& - x_{1} \, a \, \mathbf{\hat{x}}& \left(3a\right) & \mbox{Hg} \\ \mathbf{B}_{4} & =& x_{2} \, \mathbf{a}_{1} + \frac16 \, \mathbf{a}_{3}& =& \frac12 \, x_{2} \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}} +\frac16 \, c \, \mathbf{\hat{z}}& \left(3b\right) & \mbox{S} \\ \mathbf{B}_{5} & =& x_{2} \, \mathbf{a}_{2} + \frac56 \, \mathbf{a}_{3}& =& \frac12 \, x_{2} \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, x_{2} \, a \, \mathbf{\hat{y}} +\frac56 \, c \, \mathbf{\hat{z}}& \left(3b\right) & \mbox{S} \\ \mathbf{B}_{6} & =& - x_{2} \, \mathbf{a}_{1} - x_{2} \, \mathbf{a}_{2} + \frac12 \, \mathbf{a}_{3}& =& - x_{2} \, a \, \mathbf{\hat{x}} + \frac12 \, c \, \mathbf{\hat{z}}& \left(3b\right) & \mbox{S} \\ \end{array} \]References
- P. Auvray and F. Genet, Affinement de la structure cristalline du cinabre alpha–HgS, Bull. Soc. fr. Minéral. Crystallogr. 96, 218–219 (1973).
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).