Tl$_{2}$CdGeTe$_{4}$ Structure: ABC4D2_tI16_121_a_b_i_c-001
| Prototype | CdGeTe$_{4}$Tl$_{2}$ |
| AFLOW prototype label | ABC4D2_tI16_121_a_b_i_c-001 |
| ICSD | 172502 |
| Pearson symbol | tI16 |
| Space group number | 121 |
| Space group symbol | $I\overline{4}2m$ |
| AFLOW prototype command |
aflow --proto=ABC4D2_tI16_121_a_b_i_c-001
--params=$a, \allowbreak c/a, \allowbreak x_{4}, \allowbreak z_{4}$ |
Other compounds with this structure
Tl$_{2}$CdSnTe$_{4}$, Tl$_{2}$HgGeTe$_{4}$, Tl$_{2}$HgSiSe$_{4}$, Tl$_{2}$HgSnSe$_{4}$, Tl$_{2}$HgSnTe$_{4}$, Tl$_{2}$MnGeTe$_{4}$, Tl$_{2}$MnSnTe$_{4}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Cd I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Ge I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (4c) | Tl I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}$ | (4c) | Tl I |
| $\mathbf{B_{5}}$ | = | $\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+2 x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Te I |
| $\mathbf{B_{6}}$ | = | $- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- 2 x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Te I |
| $\mathbf{B_{7}}$ | = | $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}$ | = | $a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Te I |
| $\mathbf{B_{8}}$ | = | $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Te I |
References
- M. A. McGuire, T. J. Scheidemantel, J. V. Badding, and F. J. DiSalvo, Tl$_{2}$AXTe$_{4}$ (A = Cd, Hg, Mn; X = Ge, Sn): Crystal Structure, Electronic Structure, and Thermoelectric Properties, Chem. Mater. 17, 6186–6191 (2005), doi:10.1021/cm0518067.
Prototype Generator
aflow --proto=ABC4D2_tI16_121_a_b_i_c --params=$a,c/a,x_{4},z_{4}$