α-O$_{2}$ Structure: A_mC4_12_i-001
| Prototype | O |
| AFLOW prototype label | A_mC4_12_i-001 |
| ICSD | 173933 |
| Pearson symbol | mC4 |
| Space group number | 12 |
| Space group symbol | $C2/m$ |
| AFLOW prototype command |
aflow --proto=A_mC4_12_i-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak x_{1}, \allowbreak z_{1}$ |
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+x_{1} \, \mathbf{a}_{2}+z_{1} \, \mathbf{a}_{3}$ | = | $\left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}+c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ | (4i) | O I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}$ | = | $- \left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}- c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ | (4i) | O I |
References
- R. J. Meier and R. B. Helmholdt, Neutron-diffraction study of α- and β-oxygen, Phys. Rev. B 29, 1387–1393 (1984), doi:10.1103/PhysRevB.29.1387.
Prototype Generator
aflow --proto=A_mC4_12_i --params=$a,b/a,c/a,\beta,x_{1},z_{1}$