Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A_cP1_221_a

  • M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
  • D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
  • D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

$\alpha$–Po ($A_{h}$, simple cubic) Structure: A_cP1_221_a

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Prototype : $\alpha$–Po
AFLOW prototype label : A_cP1_221_a
Strukturbericht designation : $A_{h}$
Pearson symbol : cP1
Space group number : 221
Space group symbol : $Pm\bar{3}m$
AFLOW prototype command : aflow --proto=A_cP1_221_a
--params=
$a$


  • This is a simple cubic lattice. Polonium is the only element known with this ground state. Originally, Po was assigned Strukturbericht designation: A19, which is now considered to be incorrect. (Donohue, 1982, 390)

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:

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

References

  • W. H. Beamer and C. R. Maxwell, The Crystal Structure of Polonium, J. Chem. Phys. 14, 569 (1946), doi:10.1063/1.1724201.

Found in

  • J. Donohue, The Structure of the Elements (Robert E. Krieger Publishing Company, Malabar, Florida, 1982)., pp. 390-391.

Geometry files


Prototype Generator

aflow --proto=A_cP1_221_a --params=

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