NaTl ($B32$) Structure: AB_cF16_227_a_b

Picture of Structure; Click for Big Picture
Prototype : NaTl
AFLOW prototype label : AB_cF16_227_a_b
Strukturbericht designation : $B32$
Pearson symbol : cF16
Space group number : 227
Space group symbol : $\mbox{Fd}\bar{3}\mbox{m}$
AFLOW prototype command : aflow --proto=AB_cF16_227_a_b
--params=
$a$


  • This is an example of a Zintl Phase.

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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &\frac18 \mathbf{a}_{1}+ \frac18 \mathbf{a}_{2}+ \frac18 \mathbf{a}_{3}& = &\frac18 \, a \, \mathbf{\hat{x}}+ \frac18 \, a \, \mathbf{\hat{y}}+ \frac18 \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{Na} \\ \mathbf{B}_{2} & = &\frac78 \mathbf{a}_{1}+ \frac78 \mathbf{a}_{2}+ \frac78 \mathbf{a}_{3}& = &\frac78 \, a \, \mathbf{\hat{x}}+ \frac78 \, a \, \mathbf{\hat{y}}+ \frac78 \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{Na} \\ \mathbf{B}_{3} & = &\frac38 \mathbf{a}_{1}+ \frac38 \mathbf{a}_{2}+ \frac38 \mathbf{a}_{3}& = &\frac38 \, a \, \mathbf{\hat{x}}+ \frac38 \, a \, \mathbf{\hat{y}}+ \frac38 \, a \, \mathbf{\hat{z}}& \left(8b\right) & \mbox{Tl} \\ \mathbf{B}_{4} & = &\frac58 \mathbf{a}_{1}+ \frac58 \mathbf{a}_{2}+ \frac58 \mathbf{a}_{3}& = &\frac58 \, a \, \mathbf{\hat{x}}+ \frac58 \, a \, \mathbf{\hat{y}}+ \frac58 \, a \, \mathbf{\hat{z}}& \left(8b\right) & \mbox{Tl} \\ \end{array} \]

References

  • K. Kuriyama, S. Saito, and K. Iwamura, Ultrasonic study on the elastic moduli of the NaTl (B32) structure, J. Phys. Chem. Solids 40, 457–461 (1979), doi:10.1016/0022-3697(79)90062-3.

Found in

  • P. Villars, Material Phases Data System ((MPDS), CH–6354 Vitznau, Switzerland, 2014). Accessed through the Springer Materials site.

Geometry files


Prototype Generator

aflow --proto=AB_cF16_227_a_b --params=

Species:

Running:

Output: