Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A_cI2_229_a-001

This structure originally had the label A_cI2_229_a. Calls to that address will be redirected here.

If you are using this page, please cite:
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)

Links to this page

https://aflow.org/p/7W8F
or https://aflow.org/p/A_cI2_229_a-001
or PDF Version

Body-Centered Cubic (W, $A2$, bcc) Structure: A_cI2_229_a-001

Picture of Structure; Click for Big Picture
Prototype W
AFLOW prototype label A_cI2_229_a-001
Strukturbericht designation $A2$
ICSD 52538
Pearson symbol cI2
Space group number 229
Space group symbol $Im\overline{3}m$
AFLOW prototype command aflow --proto=A_cI2_229_a-001
--params=$a$

Other compounds with this structure

Li (RT),  Na,  K,  V,  Cr,  Fe,  Rb,  Nb,  Mo,  Cs,  Ba,  Eu,  Ta


  • Although more accurate measurements of the lattice constant of tungsten are available, (Davey, 1925) is chosen because of the unique experimental technique. The ICSD entry is from the later work of (Hartmann, 1931).

\[ \begin{array}{ccc} \mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $0$ = $0$ (2a) W I

References

  • W. P. Davey, Precision Measurements of the Lattice Constants of Twelve Common Metals, Phys. Rev. 25, 753–761 (1925), doi:10.1103/PhysRev.25.753.
  • W. P. Davey, The Lattice Parameter and Density of Pure Tungsten, Phys. Rev. 26, 736–738 (1925), doi:10.1103/PhysRev.26.736.
  • H. Hartmann, F. Ebert, and O. Bretschneider, Elektrolysen in Phosphatschmelzen I, Z. Anorganische und Allgemeine Chemie 198, 116–140 (1931), doi:10.1002/zaac.19311980111.

Prototype Generator

aflow --proto=A_cI2_229_a --params=$a$

Species:

Running:

Output: