$\gamma$–CuTi (B11) Structure: AB_tP4_129_c_c
| Prototype | : | $\gamma$–CuTi |
| AFLOW prototype label | : | AB_tP4_129_c_c |
| Strukturbericht designation | : | $B11$ |
| Pearson symbol | : | tP4 |
| Space group number | : | 129 |
| Space group symbol | : | $\mbox{P4/nmm}$ |
| AFLOW prototype command | : | aflow --proto=AB_tP4_129_c_c --params=$a,c/a,z_{1},z_{2}$ |
Other compounds with this structure
- AuCu, AlRe, TlF–I (high–temperature)
- When $c = 2 a$, $z_{1} = 1/8$, and $z_{2} = 5/8$, the atoms are on the sites of a body-centered cubic lattice. If, on the other hand, $c = 2\sqrt{2} a$, with the same $x_{i}$, the atoms are on the site of a face-centered cubic lattice. This is the phase that Lu et al. refer to as
Z2
.
Simple Tetragonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\
\mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{1} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{1} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Cu} \\ \mathbf{B}_{2} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{1} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Cu} \\ \mathbf{B}_{3} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Ti} \\ \mathbf{B}_{4} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Ti} \\ \end{array} \]References
- V. N. Eremenko, Y. I. Buyanov, and S. B. Prima, Phase diagram of the system titanium–copper, Soviet Powder Metallurgy and Metal Ceramics 5, 494–502 (1966), doi:10.1007/BF00775543.
- Z. W. Lu., S.–H. Wei, and A. Zunger, Long–range order in binary late–transition–metal alloys, Phys. Rev. Lett. 66, 1753 (1991), doi:10.1103/PhysRevLett.66.1753.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 3021.