Cinnabar (HgS, $B9$) Structure: AB_hP6_154_a_b-001
| Prototype | HgS |
| AFLOW prototype label | AB_hP6_154_a_b-001 |
| Strukturbericht designation | $B9$ |
| Mineral name | cinnabar |
| ICSD | 70054 |
| Pearson symbol | hP6 |
| Space group number | 154 |
| Space group symbol | $P3_221$ |
| AFLOW prototype command |
aflow --proto=AB_hP6_154_a_b-001
--params=$a, \allowbreak c/a, \allowbreak x_{1}, \allowbreak x_{2}$ |
Other compounds with this structure
HgO
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{1} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{1} \,\mathbf{\hat{y}}+\frac{2}{3}c \,\mathbf{\hat{z}}$ | (3a) | Hg I |
| $\mathbf{B_{2}}$ | = | $x_{1} \, \mathbf{a}_{2}+\frac{1}{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{1} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{1} \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}$ | (3a) | Hg I |
| $\mathbf{B_{3}}$ | = | $- x_{1} \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}$ | = | $- a x_{1} \,\mathbf{\hat{x}}$ | (3a) | Hg I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{1}+\frac{1}{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3b) | S I |
| $\mathbf{B_{5}}$ | = | $x_{2} \, \mathbf{a}_{2}+\frac{5}{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}+\frac{5}{6}c \,\mathbf{\hat{z}}$ | (3b) | S I |
| $\mathbf{B_{6}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3b) | S I |
References
- P. Auvray and F. Genet, Affinement de la structure cristalline du cinabre α-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).
Prototype Generator
aflow --proto=AB_hP6_154_a_b --params=$a,c/a,x_{1},x_{2}$