Ag$_{3}$Te$_{2}$Tl Structure: A3B2C_oC12_65_ah_g_c-001
| Prototype | Ag$_{3}$Te$_{2}$Tl |
| AFLOW prototype label | A3B2C_oC12_65_ah_g_c-001 |
| ICSD | 71081 |
| Pearson symbol | oC12 |
| Space group number | 65 |
| Space group symbol | $Cmmm$ |
| AFLOW prototype command |
aflow --proto=A3B2C_oC12_65_ah_g_c-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak x_{4}$ |
- (Avilov, 1972) put this in space group $Pmna$ #51, with two formula units in the full orthorhombic cell. (Cenzual, 1991) showed that their coordinates actually described a system in space group $Cmmm$ #65, with one formula unit in the primitive cell.
- The ICSD entry references (Cenzual, 1991).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ag I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2c) | Tl I |
| $\mathbf{B_{3}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}$ | (4g) | Te I |
| $\mathbf{B_{4}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}$ | (4g) | Te I |
| $\mathbf{B_{5}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Ag II |
| $\mathbf{B_{6}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (4h) | Ag II |
References
- A. S. Avilov, R. M. Imamov, and Z. G. Pinsker, Crystal structure of Ag$_{3}$TlTe$_{2}$, Sov. Phys. Crystal. 17, 237–239 (1972). Translated from Kristallografiya.
Found in
- K. Cenzual, L. M. Gelato, M. Penzo, and E. Parthé, Inorganic structure types with revised space groups. I, Acta Crystallogr. Sect. B 47, 433–439 (1991), doi:10.1107/S0108768191000903.
Prototype Generator
aflow --proto=A3B2C_oC12_65_ah_g_c --params=$a,b/a,c/a,x_{3},x_{4}$