SrCuO2 Structure: AB2C_oC16_63_c_2c_c
| Prototype | : | SrCuO2 |
| AFLOW prototype label | : | AB2C_oC16_63_c_2c_c |
| Strukturbericht designation | : | None |
| Pearson symbol | : | oC16 |
| Space group number | : | 63 |
| Space group symbol | : | $\mbox{Cmcm}$ |
| AFLOW prototype command | : | aflow --proto=AB2C_oC16_63_c_2c_c --params=$a,b/a,c/a,y_{1},y_{2},y_{3},y_{4}$ |
Base-centered Orthorhombic primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =& - y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{1} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Cu} \\ \mathbf{B}_{2} & =& y_{1} \, \mathbf{a}_{1} - y_{1} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{1} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Cu} \\ \mathbf{B}_{3} & =& - y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{2} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{O I} \\ \mathbf{B}_{4} & =& y_{2} \, \mathbf{a}_{1} - y_{2} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{2} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{O I} \\ \mathbf{B}_{5} & =& - y_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{3} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{O II} \\ \mathbf{B}_{6} & =& y_{3} \, \mathbf{a}_{1} - y_{3} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{3} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{O II} \\ \mathbf{B}_{7} & =& - y_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& =& y_{4} \, b \, \mathbf{\hat{y}} + \frac14 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Sr} \\ \mathbf{B}_{8} & =& y_{4} \, \mathbf{a}_{1} - y_{4} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& =& - y_{4} \, b \, \mathbf{\hat{y}} + \frac34 \, c \mathbf{\hat{z}}& \left(4c\right) & \mbox{Sr} \\ \end{array} \]References
- Y. Matsushita, Y. Oyama, M. Hasegawa, and H. Takei, Growth and Structural Refinement of Orthorhombic SrCuO2 Crystals, J. Solid State Chem. 114, 289–293 (1994), doi:10.1006/jssc.1995.1043.