Tungsten Carbide ($B_{h}$) Structure: AB_hP2_187_d_a

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Prototype : WC
AFLOW prototype label : AB_hP2_187_d_a
Strukturbericht designation : $B_{h}$
Pearson symbol : hP2
Space group number : 187
Space group symbol : $\mbox{P}\bar{6}\mbox{m2}$
AFLOW prototype command : aflow --proto=AB_hP2_187_d_a
--params=
$a$,$c/a$


Other compounds with this structure

  • AlSn, BIr, MoC, MoP, NbS, WN, TaS, TiS, TeZr

Hexagonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2} \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1}& = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{W} \\ \mathbf{B}_{2}& = &\frac13 \, \mathbf{a}_{1}+ \frac23 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac1{2\sqrt3} \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(1d\right) & \mbox{C} \\ \end{array} \]

References

Found in

  • W. B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys (Wiley– Interscience, New York, London, Sydney, Toronto, 1972)., pp. 479.

Geometry files


Prototype Generator

aflow --proto=AB_hP2_187_d_a --params=

Species:

Running:

Output: