Calaverite (AuTe2, $C34$) Structure: AB2_mC6_12_a_i

Picture of Structure; Click for Big Picture
Prototype : AuTe2
AFLOW prototype label : AB2_mC6_12_a_i
Strukturbericht designation : $C34$
Pearson symbol : mC6
Space group number : 12
Space group symbol : $\mbox{C2/m}$
AFLOW prototype command : aflow --proto=AB2_mC6_12_a_i
--params=
$a$,$b/a$,$c/a$,$\beta$,$x_{2}$,$z_{2}$


Other compounds with this structure

  • Au10Se3Te17

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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Au} \\ \mathbf{B}_{2} & =& x_{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a_{2}} + z_{2} \, \mathbf{a}_{3}& =& \left(x_{2} \, a + z_{2} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ z_{2} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4i\right) & \mbox{Te} \\ \mathbf{B}_{3} & =& - x_{2} \, \mathbf{a}_{1} - x_{2} \, \mathbf{a_{2}} - z_{2} \, \mathbf{a}_{3}& =& - \left(x_{2} \, a + z_{2} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}- z_{2} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4i\right) & \mbox{Te} \\ \end{array} \]

References

  • K. Reithmayer, W. Steurer, H. Schulz, and J. L. de Boer, High–pressure single–crystal structure study on calaverite, AuTe2, Acta Crystallogr. Sect. B Struct. Sci. 49, 6–11 (1993), doi:10.1107/S0108768192007286.

Geometry files


Prototype Generator

aflow --proto=AB2_mC6_12_a_i --params=

Species:

Running:

Output: