Zincblende (ZnS, $B3$) Structure: AB_cF8_216_c_a

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Prototype : ZnS
AFLOW prototype label : AB_cF8_216_c_a
Strukturbericht designation : $B3$
Pearson symbol : cF8
Space group number : 216
Space group symbol : $\mbox{F}\bar{4}\mbox{3m}$
AFLOW prototype command : aflow --proto=AB_cF8_216_c_a
--params=
$a$


  • This is the cubic analog of the wurtzite lattice, i.e. the stacking of the ZnS dimers along the <111> direction is ABCABC … This is also a two-component analog of the diamond structure, without the inversion symmetry in the middle of the bond.

Face-centered Cubic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(4a\right) & \mbox{Zn} \\ \mathbf{B}_{2} & = &\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \frac14 \, \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac14 \, a \, \mathbf{\hat{z}}& \left(4c\right) & \mbox{S} \\ \end{array} \]

References

  • B. J. Skinner, Unit–Cell Edges of Natural and Synthetic Sphalerites, Am. Mineral. 46, 1399–1411 (1961).

Found in

  • R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Geometry files


Prototype Generator

aflow --proto=AB_cF8_216_c_a --params=

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