SnTaS$_{2}$ Structure: A2BC_hP8_194_e_a_c-001
| Prototype | S$_{2}$SnTa |
| AFLOW prototype label | A2BC_hP8_194_e_a_c-001 |
| ICSD | 100387 |
| Pearson symbol | hP8 |
| Space group number | 194 |
| Space group symbol | $P6_3/mmc$ |
| AFLOW prototype command |
aflow --proto=A2BC_hP8_194_e_a_c-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}$ |
Other compounds with this structure
SnNbS$_{2}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Sn I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2a) | Sn I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2c) | Ta I |
| $\mathbf{B_{4}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (2c) | Ta I |
| $\mathbf{B_{5}}$ | = | $z_{3} \, \mathbf{a}_{3}$ | = | $c z_{3} \,\mathbf{\hat{z}}$ | (4e) | S I |
| $\mathbf{B_{6}}$ | = | $\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $c \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4e) | S I |
| $\mathbf{B_{7}}$ | = | $- z_{3} \, \mathbf{a}_{3}$ | = | $- c z_{3} \,\mathbf{\hat{z}}$ | (4e) | S I |
| $\mathbf{B_{8}}$ | = | $- \left(z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- c \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4e) | S I |
References
- R. Eppinga and G. A. Wiegers, The crystal structure of the intercalates SnTaS$_{2}$ and SnNbS$_{2}$, Mater. Res. Bull. 12, 1057–1062 (1977), doi:10.1016/0025-5408(77)90033-2.
Prototype Generator
aflow --proto=A2BC_hP8_194_e_a_c --params=$a,c/a,z_{3}$