$D6_{2}$ (Sb$_{2}$O$_{4}$, Obsolete) Structure: A2B_cF96_227_abf_cd-001
| Prototype | O$_{2}$Sb |
| AFLOW prototype label | A2B_cF96_227_abf_cd-001 |
| Strukturbericht designation | $D6_{2}$ |
| ICSD | 24244 |
| Pearson symbol | cF96 |
| Space group number | 227 |
| Space group symbol | $Fd\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=A2B_cF96_227_abf_cd-001
--params=$a, \allowbreak x_{5}$ |
- Shortly after (Gottfried, 1937) gave this compound the Strukturbericht designation $D6_{2}$, (Dihiström, 1937) showed that they were actually determining the structure of Sb$_{3}$O$_{6}$OH, making this structure obsolete. Indeed, (Herrman, 1943) formally withdraws this from the Strukturbericht list, saying
The type and description [in (Gottfried, 1937)] should be deleted, as the radiographs were not based on the supposed substance.
We present it for its historical interest. - Modern experiments have determined that SbO$_{2}$ appears as cervantite ($\alpha$–Sb$_{2}$O$_{4}$) or clinocervantite ($\beta$–Sb$_{2}$O$_{4}$).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (8a) | O I |
| $\mathbf{B_{2}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $\frac{7}{8}a \,\mathbf{\hat{x}}+\frac{7}{8}a \,\mathbf{\hat{y}}+\frac{7}{8}a \,\mathbf{\hat{z}}$ | (8a) | O I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (8b) | O II |
| $\mathbf{B_{4}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $\frac{5}{8}a \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ | (8b) | O II |
| $\mathbf{B_{5}}$ | = | $0$ | = | $0$ | (16c) | Sb I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ | (16c) | Sb I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16c) | Sb I |
| $\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16c) | Sb I |
| $\mathbf{B_{9}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (16d) | Sb II |
| $\mathbf{B_{10}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (16d) | Sb II |
| $\mathbf{B_{11}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16d) | Sb II |
| $\mathbf{B_{12}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16d) | Sb II |
| $\mathbf{B_{13}}$ | = | $- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{14}}$ | = | $x_{5} \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{15}}$ | = | $x_{5} \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{16}}$ | = | $- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{17}}$ | = | $x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{18}}$ | = | $- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{19}}$ | = | $\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{3}{4}\right) \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{20}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{21}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{3}{4}\right) \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{22}}$ | = | $\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{23}}$ | = | $- x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (48f) | O III |
| $\mathbf{B_{24}}$ | = | $\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (48f) | O III |
References
- G. Natta and M. Baccaredda, Tetrossido di antimonio e antimoniati, Z. Kristallogr. 85, 271–296 (1933), doi:10.1524/zkri.1933.85.1.271.
- K. Dihlström and A. Westgren, Über den Bau des sogenannten Antimontetroxyds und der damit isomorphen Verbindung BiTa$_{2}$O$_{6}$F, Z. Anorganische und Allgemeine Chemie 235, 153–160 (1937), doi:10.1002/zaac.19372350121.
- K. Herrmann, ed., Strukturbericht Band VII 1939 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1943).
Found in
- C. Gottfried and F. Schossberger, eds., Strukturbericht Band III 1933-1935 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
Prototype Generator
aflow --proto=A2B_cF96_227_abf_cd --params=$a,x_{5}$