Ga$_{2}$Te$_{5}$ Structure: A2B5_tI14_87_d_ah-001
| Prototype | Ga$_{2}$Te$_{5}$ |
| AFLOW prototype label | A2B5_tI14_87_d_ah-001 |
| ICSD | 1085 |
| Pearson symbol | tI14 |
| Space group number | 87 |
| Space group symbol | $I4/m$ |
| AFLOW prototype command |
aflow --proto=A2B5_tI14_87_d_ah-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak y_{3}$ |
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Te I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4d) | Ga I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4d) | Ga I |
| $\mathbf{B_{4}}$ | = | $y_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}$ | (8h) | Te II |
| $\mathbf{B_{5}}$ | = | $- y_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}$ | (8h) | Te II |
| $\mathbf{B_{6}}$ | = | $x_{3} \, \mathbf{a}_{1}- y_{3} \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}$ | (8h) | Te II |
| $\mathbf{B_{7}}$ | = | $- x_{3} \, \mathbf{a}_{1}+y_{3} \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}$ | (8h) | Te II |
References
- M. Julien-Pouzol, S. Jaulmes, and F. Alapini, Tellurure de gallium, Acta Crystallogr. Sect. B 33, 2270–2272 (1977), doi:10.1107/S0567740877008152.
Found in
- H. J. Deiseroth, P. Amann, and H. Thurn, Die Pentatelluride M$_{2}$Te$_{5}$ (M = Al, Ga, In): Polymorphie, Strukturbeziehungen und Homogenitätsbereiche, Z. Anorganische und Allgemeine Chemie 622, 985–993 (1996), doi:10.1002/zaac.19966220611.
Prototype Generator
aflow --proto=A2B5_tI14_87_d_ah --params=$a,c/a,x_{3},y_{3}$