Body-Centered Cubic (W, $A2$, bcc) Structure: A_cI2_229_a-001
| Prototype | W |
| AFLOW prototype label | A_cI2_229_a-001 |
| Strukturbericht designation | $A2$ |
| ICSD | 52538 |
| CCDC | 1617278 |
| 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.
First cited in
- 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)
Geometry files
Prototype Generator
aflow --proto=A_cI2_229_a --params=$a$