$\alpha$–O Structure: A_mC4_12_i

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Prototype : $\alpha$–O
AFLOW prototype label : A_mC4_12_i
Strukturbericht designation : None
Pearson symbol : mC4
Space group number : 12
Space group symbol : $\mbox{C2/m}$
AFLOW prototype command : aflow --proto=A_mC4_12_i
--params=
$a$,$b/a$,$c/a$,$\beta$,$x_{1}$,$z_{1}$


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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =& x_{1} \, \mathbf{a}_{1} + x_{1} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3}& =& \left(x_{1} \, a \, + \, z_{1} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}+ z_{1} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4i\right) & \mbox{O} \\ \mathbf{B}_{2} & =& - x_{1} \, \mathbf{a}_{1} - x_{1} \, \mathbf{a}_{2} - z_{1} \, \mathbf{a}_{3}& =& - \left(x_{1} \, a \, + \, z_{1} \, c \, \cos\beta\right) \, \mathbf{\hat{x}}- z_{1} \, c \, \sin\beta \, \mathbf{\hat{z}}& \left(4i\right) & \mbox{O} \\ \end{array} \]

References

  • R. J. Meier and R. B. Helmholdt, Neutron–diffraction study of alpha– and beta–oxygen, Phys. Rev. B 29, 1387–1393 (1984), doi:10.1103/PhysRevB.29.1387.

Geometry files


Prototype Generator

aflow --proto=A_mC4_12_i --params=

Species:

Running:

Output: