BPO$_{4}$ ($H0_{7}$) Structure: AB4C_tI12_82_c_g_a-001
| Prototype | BO$_{4}$P |
| AFLOW prototype label | AB4C_tI12_82_c_g_a-001 |
| Strukturbericht designation | $H0_{7}$ |
| ICSD | 55082 |
| Pearson symbol | tI12 |
| Space group number | 82 |
| Space group symbol | $I\overline{4}$ |
| AFLOW prototype command |
aflow --proto=AB4C_tI12_82_c_g_a-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}$ |
Other compounds with this structure
AlAsO$_{4}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | P I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2c) | B I |
| $\mathbf{B_{3}}$ | = | $\left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (8g) | O I |
| $\mathbf{B_{4}}$ | = | $- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (8g) | O I |
| $\mathbf{B_{5}}$ | = | $- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (8g) | O I |
| $\mathbf{B_{6}}$ | = | $\left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (8g) | O I |
References
- M. Schmidt, B. Ewald, Y. Prots, R. Cardoso-Gil, M. Armbrüster, I. Loa, L. Zhang, Y.-X. Huang, U. Schwarz, and R. Kniep, Growth and Characterization of BPO$_4$ Single Crystals, Z. Anorganische und Allgemeine Chemie 630, 655–662 (2004), doi:10.1002/zaac.200400002.
Prototype Generator
aflow --proto=AB4C_tI12_82_c_g_a --params=$a,c/a,x_{3},y_{3},z_{3}$