HgBr2 (C24) Structure: A2B_oC12_36_2a_a
| Prototype | : | HgBr2 |
| AFLOW prototype label | : | A2B_oC12_36_2a_a |
| Strukturbericht designation | : | $C24$ |
| Pearson symbol | : | oC12 |
| Space group number | : | 36 |
| Space group symbol | : | $\mbox{Cmc2}_{1}$ |
| AFLOW prototype command | : | aflow --proto=A2B_oC12_36_2a_a --params=$a,b/a,c/a,y_{1},z_{1},y_{2},z_{2},y_{3},z_{3}$ |
Base-centered Orthorhombic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =& - y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3}& =& y_{1} \, b \, \mathbf{\hat{y}} + z_{1} \, c \mathbf{\hat{z}}& \left(4a\right) & \mbox{Br I} \\ \mathbf{B}_{2} & =& y_{1} \, \mathbf{a}_{1} - y_{1} \, \mathbf{a}_{2} + \left(\frac12 + z_{1}\right) \, \mathbf{a}_{3}& =& - y_{1} \, b \, \mathbf{\hat{y}} + \left(\frac12 + z_{1}\right) \, c \mathbf{\hat{z}}& \left(4a\right) & \mbox{Br I} \\ \mathbf{B}_{3} & =& - y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3}& =& y_{2} \, b \, \mathbf{\hat{y}} + z_{2} \, c \mathbf{\hat{z}}& \left(4a\right) & \mbox{Br II} \\ \mathbf{B}_{4} & =& y_{2} \, \mathbf{a}_{1} - y_{2} \, \mathbf{a}_{2} + \left(\frac12 + z_{2}\right) \, \mathbf{a}_{3}& =& - y_{2} \, b \, \mathbf{\hat{y}} + \left(\frac12 + z_{2}\right) \, c \mathbf{\hat{z}}& \left(4a\right) & \mbox{Br II} \\ \mathbf{B}_{5} & =& - y_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3}& =& y_{3} \, b \, \mathbf{\hat{y}} + z_{3} \, c \mathbf{\hat{z}}& \left(4a\right) & \mbox{Hg} \\ \mathbf{B}_{6} & =& y_{3} \, \mathbf{a}_{1} - y_{3} \, \mathbf{a}_{2} + \left(\frac12 + z_{3}\right) \, \mathbf{a}_{3}& =& - y_{3} \, b \, \mathbf{\hat{y}} + \left(\frac12 + z_{3}\right) \, c \mathbf{\hat{z}}& \left(4a\right) & \mbox{Hg} \\ \end{array} \]References
- H. Braekken, Zur Kristallstruktur des Quecksilberbromids HgBr2, Zeitschrift für Kristallographie – Crystalline Materials 81, 152–154 (1932), doi:10.1524/zkri.1932.81.1.152.
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).