AuCN Structure: ABC_hP3_183_a_a_a

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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).

Geometry files


Prototype Generator

aflow --proto=ABC_hP3_183_a_a_a --params=

Species:

Running:

Output: