Tolbachite (CuCl2) Structure : A2B_mC6_12_i_a
| Prototype | : | Cl2Cu |
| AFLOW prototype label | : | A2B_mC6_12_i_a |
| Strukturbericht designation | : | None |
| Pearson symbol | : | mC6 |
| Space group number | : | 12 |
| Space group symbol | : | $C2/m$ |
| AFLOW prototype command | : | aflow --proto=A2B_mC6_12_i_a --params=$a$,$b/a$,$c/a$,$\beta$,$x_{2}$,$z_{2}$ |
Other compounds with this structure
- CuBr2
Base-centered Monoclinic primitive vectors:
\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \cos\beta \, \mathbf{\hat{x}} + c \sin\beta \, \mathbf{\hat{z}} \\ \end{array} \]
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{Cu} \\ \mathbf{B}_{2} & = & x_{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \left(x_{2}a+z_{2}c\cos\beta\right) \, \mathbf{\hat{x}} + z_{2}c\sin\beta \, \mathbf{\hat{z}} & \left(4i\right) & \text{Cl} \\ \mathbf{B}_{3} & = & -x_{2} \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \left(-x_{2}a-z_{2}c\cos\beta\right) \, \mathbf{\hat{x}}-z_{2}c\sin\beta \, \mathbf{\hat{z}} & \left(4i\right) & \text{Cl} \\ \end{array} \]References
- P. C. Burns and F. C. Hawthorne, Tolbachite, CuCl2, the first example of Cu2+ octahedrally coordinated by Cl–, Am. Mineral. 78, 187–189 (1993).
Found in
- R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).