NaO Structure: AB_hP12_189_fg_eh-001
| Prototype | NaO |
| AFLOW prototype label | AB_hP12_189_fg_eh-001 |
| ICSD | 25526 |
| Pearson symbol | hP12 |
| Space group number | 189 |
| Space group symbol | $P\overline{6}2m$ |
| AFLOW prototype command |
aflow --proto=AB_hP12_189_fg_eh-001
--params=$a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak z_{4}$ |
Other compounds with this structure
CaAs, CaP, EuAs, KS, KSe, $\alpha$-KTe, $\alpha$-NaS, $\beta$-RbS, RbSe, RbTc, SrAs, SrP
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{3}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (2e) | O I |
| $\mathbf{B_{2}}$ | = | $- z_{1} \, \mathbf{a}_{3}$ | = | $- c z_{1} \,\mathbf{\hat{z}}$ | (2e) | O I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}$ | (3f) | Na I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a x_{2} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{2} \,\mathbf{\hat{y}}$ | (3f) | Na I |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (3f) | Na I |
| $\mathbf{B_{6}}$ | = | $x_{3} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Na II |
| $\mathbf{B_{7}}$ | = | $x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Na II |
| $\mathbf{B_{8}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Na II |
| $\mathbf{B_{9}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (4h) | O II |
| $\mathbf{B_{10}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (4h) | O II |
| $\mathbf{B_{11}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (4h) | O II |
| $\mathbf{B_{12}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (4h) | O II |
References
- H. Föppl, Die Kristallstrukturen der Alkaliperoxyde, Z. Anorganische und Allgemeine Chemie 291, 12–50 (1957), doi:10.1002/zaac.19572910104.
Prototype Generator
aflow --proto=AB_hP12_189_fg_eh --params=$a,c/a,z_{1},x_{2},x_{3},z_{4}$