CoU (Ba) Structure: AB_cI16_199_a_a
| Prototype | : | CoU |
| AFLOW prototype label | : | AB_cI16_199_a_a |
| Strukturbericht designation | : | $B_{a}$ |
| Pearson symbol | : | cI16 |
| Space group number | : | 199 |
| Space group symbol | : | $\mbox{I2}_{1}\mbox{3}$ |
| AFLOW prototype command | : | aflow --proto=AB_cI16_199_a_a --params=$a,x_{1},x_{2}$ |
Other compounds with this structure
- Ga2Pu3
- When $x_{1} = 1/4$ and $x_{2} = 0$, or visa versa, this structure reduces to CsCl (B2) with aB2 = 1/2 a$.
Body-centered Cubic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\
\mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\
\mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} - \frac12 \, a \, \mathbf{\hat{z}} \\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &2 x_{1} \, \mathbf{a}_{1}+ 2 x_{1} \, \mathbf{a}_{2}+ 2 x_{1} \, \mathbf{a}_{3}& = &x_{1} \, a \, \mathbf{\hat{x}}+ x_{1} \, a \, \mathbf{\hat{y}}+ x_{1} \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{Co} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{1}+ \left(\frac12 - 2 x_{1}\right) \, \mathbf{a}_{3}& = &- x_{1} \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_{1}\right) \, a \, \mathbf{\hat{y}}+ x_{1} \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{Co} \\ \mathbf{B}_{3} & = &\left(\frac12 - 2 x_{1}\right) \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\left(\frac12 - x_{1}\right) \, a \, \mathbf{\hat{x}}+ x_{1} \, a \, \mathbf{\hat{y}}- x_{1} \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{Co} \\ \mathbf{B}_{4} & = &\left(\frac12 - 2 x_{1}\right) \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& = &x_{1} \, a \, \mathbf{\hat{x}}- x_{1} \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_{1}\right) \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{Co} \\ \mathbf{B}_{5} & = &2 x_{2} \, \mathbf{a}_{1}+ 2 x_{2} \, \mathbf{a}_{2}+ 2 x_{2} \, \mathbf{a}_{3}& = &x_{2} \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}+ x_{2} \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{U} \\ \mathbf{B}_{6} & = &\frac12 \, \mathbf{a}_{1}+ \left(\frac12 - 2 x_{2}\right) \, \mathbf{a}_{3}& = &- x_{2} \, a \, \mathbf{\hat{x}}+ \left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{y}}+ x_{2} \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{U} \\ \mathbf{B}_{7} & = &\left(\frac12 - 2 x_{2}\right) \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{x}}+ x_{2} \, a \, \mathbf{\hat{y}}- x_{2} \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{U} \\ \mathbf{B}_{8} & = &\left(\frac12 - 2 x_{2}\right) \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& = &x_{2} \, a \, \mathbf{\hat{x}}- x_{2} \, a \, \mathbf{\hat{y}}+ \left(\frac12 - x_{2}\right) \, a \, \mathbf{\hat{z}}& \left(8a\right) & \mbox{U} \\ \end{array} \]References
- N. C. Baenziger, R. E. Rundle, A. I. Snow, and A. S. Wilson, Compounds of uranium with the transition metals of the first long period, Acta Cryst. 3, 34–40 (1950), doi:10.1107/S0365110X50000082.
Found in
- F. A. Rough and A. A. Bauer, Constitution of Uranium and Thorium Alloys, Report No. BMI–1300 (UC–25 Metallurgy and Ceramics, TID–4500, 1958), 13th edn.