CaCuO2 Structure: ABC2_tP4_123_d_a_f
| Prototype | : | CaCuO2 |
| AFLOW prototype label | : | ABC2_tP4_123_d_a_f |
| Strukturbericht designation | : | None |
| Pearson symbol | : | tP4 |
| Space group number | : | 123 |
| Space group symbol | : | $\mbox{P4/mmm}$ |
| AFLOW prototype command | : | aflow --proto=ABC2_tP4_123_d_a_f --params=$a,c/a$ |
Other compounds with this structure
- (Ba,Sr)CuO2, (Sr,La)CuO2, (Sr,Ca)CuO2, LaNiO2, NdNiO2, CsNiF2, KNiF2, LiNiF2, NaNiF2, and RbNiF2
- As noted in (Siegrist, 1988) this is the parent structure of the high-temperature cuprate superconductors.
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:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & =&0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Cu} \\ \mathbf{B}_{2} & =&\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& =&\frac12 \, a \, \mathbf{\hat{x}}+ \frac12 \, a \, \mathbf{\hat{y}}+ \frac12 \, c \, \mathbf{\hat{z}}& \left(1d\right) & \mbox{Ca} \\ \mathbf{B}_{3} & =&\frac12 \, \mathbf{a}_{2}& =&\frac12 \, a \, \mathbf{\hat{y}}& \left(2f\right) & \mbox{O} \\ \mathbf{B}_{4} & =&\frac12 \, \mathbf{a}_{1}& =&\frac12 \, a \, \mathbf{\hat{x}}& \left(2f\right) & \mbox{O} \\ \end{array} \]References
- T. Siegrist, S. M. Zahurak, D. W. Murphy, and R. S. Roth, The parent structure of the layered high–temperature superconductors, Nature 334, 231–232 (1988), doi:10.1038/334231a0.