CsCl ($B2$) Structure: AB_cP2_221_b_a

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Prototype : CsCl
AFLOW prototype label : AB_cP2_221_b_a
Strukturbericht designation : $B2$
Pearson symbol : cP2
Space group number : 221
Space group symbol : $\mbox{Pm}\bar{3}\mbox{m}$
AFLOW prototype command : aflow --proto=AB_cP2_221_b_a
--params=
$a$


Other compounds with this structure

  • CsBr, CsI, RbCl, AlCo, AgZn, BeCu, MgCe, RuAl, SrTl

Simple Cubic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Cs} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}+ \frac12 \, a \, \mathbf{\hat{z}}& \left(1b\right) & \mbox{Cl} \\ \end{array} \]

References

  • V. Ganesan and K. S. Girirajan, Lattice parameter and thermal expansion of CsCl and CsBr by x–ray powder diffraction. I. Thermal expansion of CsCl from room temperature to 90° K, Pramana – Journal of Physics 27, 469–474 (1986).

Geometry files


Prototype Generator

aflow --proto=AB_cP2_221_b_a --params=

Species:

Running:

Output: