0201 [(La,Ba)2CuO4] High–Tc Structure: AB2C4_tI14_139_a_e_ce
| Prototype | : | (La,Ba)2CuO4 |
| AFLOW prototype label | : | AB2C4_tI14_139_a_e_ce |
| Strukturbericht designation | : | None |
| Pearson symbol | : | tI14 |
| Space group number | : | 139 |
| Space group symbol | : | $\mbox{I4/mmm}$ |
| AFLOW prototype command | : | aflow --proto=AB2C4_tI14_139_a_e_ce --params=$a,c/a,z_{3},z_{4}$ |
- The original
high
-temperature (30K) superconductor found by Bednorz and Mueller. Barium and lanthanum atoms are distributed randomly on the lanthanum sublattice. The ground state structure of the parent compound, La2CuO4, is an orthorhombic distortion of this unit cell.
Body-centered Tetragonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}}\\
\mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}}\\
\mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}}\\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & =&0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \mbox{Cu} \\ \mathbf{B}_{2} & =&\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{y}}& \left(4c\right) & \mbox{O I} \\ \mathbf{B}_{3} & =&\frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}& \left(4c\right) & \mbox{O I} \\ \mathbf{B}_{4} & =&z_{3} \, \mathbf{a}_{1}+ z_{3} \, \mathbf{a}_{2}& =&z_{3} \, c \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{La/Ba} \\ \mathbf{B}_{5} & =&- z_{3} \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{2}& =&- z_{3} \, c \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{La/Ba} \\ \mathbf{B}_{6} & =&z_{4} \, \mathbf{a}_{1}+ z_{4} \, \mathbf{a}_{2}& =&z_{4} \, c \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{O II} \\ \mathbf{B}_{7} & =&- z_{4} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}& =&- z_{4} \, c \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{O II} \\ \end{array} \]References
- J. D. Jorgensen, H.–B. Schüttler, D. G. Hinks, D. W. Capone, II, K. Zhang, M. B. Brodsky, and D. J. Scalapino, Lattice instability and high–Tc superconductivity in La2–xBaxCuO4, Phys. Rev. Lett. 58, 1024–1029 (1987), doi:10.1103/PhysRevLett.58.1024.
Found in
- H. Shaked, P. M. Keane, J. C. Rodrigues, F. F. Owen, R. L. Hitterman, and J. D. Jorgensen, Crystal Structures of the High–Tc Superconducting Copper–Oxides (Elsevier Science B. V., Amsterdam, 1994).