CNCl Structure: ABC_oP6_59_a_a_a

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Prototype : CNCl
AFLOW prototype label : ABC_oP6_59_a_a_a
Strukturbericht designation : None
Pearson symbol : oP6
Space group number : 59
Space group symbol : $\mbox{Pmmn}$
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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{C} \\ \mathbf{B}_{2} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{C} \\ \mathbf{B}_{3} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{Cl} \\ \mathbf{B}_{4} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{Cl} \\ \mathbf{B}_{5} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{3} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, b \, \mathbf{\hat{y}}+ z_{3} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{N} \\ \mathbf{B}_{6} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}- z_{3} \, c \, \mathbf{\hat{z}}& \left(2a\right) & \mbox{N} \\ \end{array} \]

References

Found in

  • R. W. G. Wyckoff, Crystal Structures Vol. 1 (Wiley, 1963), 2nd edn., pp. 173-174.

Geometry files


Prototype Generator

aflow --proto=ABC_oP6_59_a_a_a --params=

Species:

Running:

Output: