High-Temperature Cubic KClO$_{4}$ ($H0_{5}$) Structure: ABC4_cF24_216_a_b_e-001
| Prototype | ClKO$_{4}$ |
| AFLOW prototype label | ABC4_cF24_216_a_b_e-001 |
| Strukturbericht designation | $H0_{5}$ |
| ICSD | 33562 |
| Pearson symbol | cF24 |
| Space group number | 216 |
| Space group symbol | $F\overline{4}3m$ |
| AFLOW prototype command |
aflow --proto=ABC4_cF24_216_a_b_e-001
--params=$a, \allowbreak x_{3}$ |
Other compounds with this structure
ClCsO$_{4}$, ClKO$_{4}$, EuPtIn$_{4}$, MgSnCu$_{4}$, NaClO$_{4}$, RbClO$_{4}$, NH$_{4}$ClO$_{4}$, AgClO$_{4}$, TlClO$_{4}$
- This is the high-temperature phase of the listed perchlorate structures. KClO$_{4}$ transforms from its ground-state orthorhombic structure, $H0_{2}$ into this structure at 299.5°C. The transition temperature for the other compounds range from 155°C (AgClO$_{4}$) to 308°C (NaClO$_{4}$).
- The lattice constant for KClO$_{4}$ was measured at 310°C.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (4a) | Cl I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (4b) | K I |
| $\mathbf{B_{3}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16e) | O I |
| $\mathbf{B_{4}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- 3 x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16e) | O I |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}- 3 x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16e) | O I |
| $\mathbf{B_{6}}$ | = | $- 3 x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16e) | O I |
References
- K. Hermann and W. Ilge, Röntgenographische Strukturerforschung der kubischen Modifikation der Perchlorate, Z. Kristallogr. 71, 41–66 (1930), doi:10.1515/zkri-1930-0105.
Found in
- C. Hermann, O. Lohrmann, and H. Philipp, eds., Strukturbericht Band II 1928-1932 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
Prototype Generator
aflow --proto=ABC4_cF24_216_a_b_e --params=$a,x_{3}$