AuCN Structure: ABC_hP3_183_a_a_a
| Prototype | : | AuCN |
| AFLOW prototype label | : | ABC_hP3_183_a_a_a |
| Strukturbericht designation | : | None |
| Pearson symbol | : | hP3 |
| Space group number | : | 183 |
| Space group symbol | : | $P6mm$ |
| AFLOW prototype command | : | aflow --proto=ABC_hP3_183_a_a_a --params=$a,c/a,z_{1},z_{2},z_{3}$ |
Hexagonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Au} \\ \mathbf{B}_{2} & = & z_{2} \, \mathbf{a}_{3} & = & z_{2}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{C} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{3} & = & z_{3}c \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{N} \\ \end{array} \]References
- S. J. Hibble, A. C. Hannon, and S. M. Cheyne, Structure of AuCN determined from total neutron diffraction, Inorg. Chem. 42, 4724–4730 (2003), doi:10.1021/ic0342043.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).