Mg$_{3}$TeO$_{6}$ Structure: A3B6C_hR20_148_f_2f_ab-001
| Prototype | Mg$_{3}$O$_{6}$Te |
| AFLOW prototype label | A3B6C_hR20_148_f_2f_ab-001 |
| ICSD | 23611 |
| Pearson symbol | hR20 |
| Space group number | 148 |
| Space group symbol | $R\overline{3}$ |
| AFLOW prototype command |
aflow --proto=A3B6C_hR20_148_f_2f_ab-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}$ |
Other compounds with this structure
Bi$_{3}$DyO$_{6}$, Bi$_{3}$ErO$_{6}$, Bi$_{3}$LuO$_{6}$, Bi$_{3}$YO$_{6}$, Ca$_{3}$UO$_{6}$, La$_{3}$ScO$_{6}$, Li$_{3}$AlH$_{6}$, Li$_{3}$AlO$_{6}$, Li$_{3}$CuF$_{6}$, Li$_{3}$FeF$_{6}$, Li$_{3}$VF$_{6}$, Mg$_{3}$SbO$_{6}$, Mn$_{3}$TeO$_{6}$, Mn$_{3}$WO$_{6}$
- Hexagonal settings of this structure can be obtained with the option
--hex.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{\sqrt{3}}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Te I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1b) | Te II |
| $\mathbf{B_{3}}$ | = | $x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{3} - 2 y_{3} + z_{3}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{3} + y_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6f) | Mg I |
| $\mathbf{B_{4}}$ | = | $z_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+y_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{3} - z_{3}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{3} - y_{3} - z_{3}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{3} + y_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6f) | Mg I |
| $\mathbf{B_{5}}$ | = | $y_{3} \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{3} - y_{3}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{3} + y_{3} - 2 z_{3}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{3} + y_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6f) | Mg I |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{3} - 2 y_{3} + z_{3}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{3} + y_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6f) | Mg I |
| $\mathbf{B_{7}}$ | = | $- z_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- y_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{3} - z_{3}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{3} - y_{3} - z_{3}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{3} + y_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6f) | Mg I |
| $\mathbf{B_{8}}$ | = | $- y_{3} \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{3} - y_{3}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{3} + y_{3} - 2 z_{3}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{3} + y_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6f) | Mg I |
| $\mathbf{B_{9}}$ | = | $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{4} - 2 y_{4} + z_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{4} + y_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6f) | O I |
| $\mathbf{B_{10}}$ | = | $z_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{4} - z_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{4} - y_{4} - z_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{4} + y_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6f) | O I |
| $\mathbf{B_{11}}$ | = | $y_{4} \, \mathbf{a}_{1}+z_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{4} + y_{4} - 2 z_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{4} + y_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6f) | O I |
| $\mathbf{B_{12}}$ | = | $- x_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{4} - 2 y_{4} + z_{4}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{4} + y_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6f) | O I |
| $\mathbf{B_{13}}$ | = | $- z_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{4} - z_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{4} - y_{4} - z_{4}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{4} + y_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6f) | O I |
| $\mathbf{B_{14}}$ | = | $- y_{4} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{4} + y_{4} - 2 z_{4}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{4} + y_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6f) | O I |
| $\mathbf{B_{15}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{5} - z_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{5} - 2 y_{5} + z_{5}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{5} + y_{5} + z_{5}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{16}}$ | = | $z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{5} - z_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{5} - y_{5} - z_{5}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{5} + y_{5} + z_{5}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{17}}$ | = | $y_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{5} + y_{5} - 2 z_{5}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{5} + y_{5} + z_{5}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{18}}$ | = | $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{5} - z_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{5} - 2 y_{5} + z_{5}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{5} + y_{5} + z_{5}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{19}}$ | = | $- z_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{5} - z_{5}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{5} - y_{5} - z_{5}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{5} + y_{5} + z_{5}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{20}}$ | = | $- y_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{5} - y_{5}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{5} + y_{5} - 2 z_{5}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{5} + y_{5} + z_{5}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
References
- H. Schulz and G. Bayer, A New Structure Type Mg$_{3}$TeO$_{6}$, Naturwissenschaften 57, 393 (1970), doi:10.1007/BF00599979.
Prototype Generator
aflow --proto=A3B6C_hR20_148_f_2f_ab --params=$a,c/a,x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5}$