CNCl Structure: ABC_oP6_59_a_a_a
| Prototype | : | CNCl |
| AFLOW prototype label | : | ABC_oP6_59_a_a_a |
| Strukturbericht designation | : | None |
| Pearson symbol | : | oP6 |
| Space group number | : | 59 |
| Space group symbol | : | $\text{Pmmn}$ |
| AFLOW prototype command | : | aflow --proto=ABC_oP6_59_a_a_a --params=$a$,$b/a$,$c/a$,$z_{1}$,$z_{2}$,$z_{3}$ |
Simple Orthorhombic primitive vectors:
\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \end{array} \]
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{C} \\ \mathbf{B}_{2} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{C} \\ \mathbf{B}_{3} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{Cl} \\ \mathbf{B}_{4} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{Cl} \\ \mathbf{B}_{5} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{N} \\ \mathbf{B}_{6} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{3} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \text{N} \\ \end{array} \]References
- R. B. Heiart and G. B. Carpenter, The crystal structure of cyanogen chloride, Acta Cryst. 9, 889–895 (1956), doi:10.1107/S0365110X56002527.
Found in
- R. W. G. Wyckoff, Crystal Structures Vol. 1 (Wiley, 1963), 2nd edn., pp. 173-174.