Tenorite (CuO, $B26$) Structure: AB_mC8_15_c_e

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Prototype : CuO
AFLOW prototype label : AB_mC8_15_c_e
Strukturbericht designation : $B26$
Pearson symbol : mC8
Space group number : 15
Space group symbol : $\mbox{C2/c}$
AFLOW prototype command : aflow --proto=AB_mC8_15_c_e
--params=
$a$,$b/a$,$c/a$,$\beta$,$y_{2}$


Base-centered Monoclinic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \cos\beta \, \mathbf{\hat{x}} + c \sin\beta \, \mathbf{\hat{z}} \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =& \frac12 \, \mathbf{a}_{2}& =& \frac14 \, a \, \mathbf{\hat{x}} + \frac14 \, b \, \mathbf{\hat{y}}& \left(4c\right) & \mbox{Cu} \\ \mathbf{B}_{2} & =& \frac12 \, \mathbf{a}_{1} + \frac12 \, \mathbf{a}_{3}& = &\left(\frac14 \, a + \frac12 \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ \frac34 \, b \, \mathbf{\hat{y}}+ \frac12 \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4c\right) & \mbox{Cu} \\ \mathbf{B}_{3} & =& - y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac14 \, \mathbf{a}_{3}& = &\frac14 \, c \, \cos\beta \, \mathbf{\hat{x}}+ y_{2} \, b \, \mathbf{\hat{y}}+ \frac14 \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{O} \\ \mathbf{B}_{4} & =& y_{2} \, \mathbf{a}_{1} - y_{2} \, \mathbf{a}_{2} + \frac34 \, \mathbf{a}_{3}& = &\frac34 \, c \, \cos\beta \, \mathbf{\hat{x}}- y_{2} \, b \, \mathbf{\hat{y}}+ \frac34 \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4e\right) & \mbox{O} \\ \end{array} \]

References

  • S. Åsbrink and L. –J. Norrby, A refinement of the crystal structure of copper(II) oxide with a discussion of some exceptional e.s.d.'s, Acta Crystallogr. Sect. B Struct. Sci. 26, 8–15 (1970), doi:10.1107/S0567740870001838.

Geometry files


Prototype Generator

aflow --proto=AB_mC8_15_c_e --params=

Species:

Running:

Output: