SrCuO2 Structure: AB2C_oC16_63_c_2c_c

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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.

Geometry files


Prototype Generator

aflow --proto=AB2C_oC16_63_c_2c_c --params=

Species:

Running:

Output: