SiS$_{2}$ ($C42$) Structure: A2B_oI12_72_j_a-001
| Prototype | S$_{2}$Si |
| AFLOW prototype label | A2B_oI12_72_j_a-001 |
| Strukturbericht designation | $C42$ |
| ICSD | 27205 |
| Pearson symbol | oI12 |
| Space group number | 72 |
| Space group symbol | $Ibam$ |
| AFLOW prototype command |
aflow --proto=A2B_oI12_72_j_a-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak y_{2}$ |
Other compounds with this structure
SeSi$_{2}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4a) | Si I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}$ | = | $\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4a) | Si I |
| $\mathbf{B_{3}}$ | = | $y_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}$ | (8j) | S I |
| $\mathbf{B_{4}}$ | = | $- y_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}$ | (8j) | S I |
| $\mathbf{B_{5}}$ | = | $\left(y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8j) | S I |
| $\mathbf{B_{6}}$ | = | $- \left(y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (8j) | S I |
References
- J. Peters and B. Krebs, Silicon disulphide and silicon diselenide: a reinvestigation, Acta Crystallogr. Sect. B 38, 1270–1272 (1982), doi:10.1107/S0567740882005469.
Prototype Generator
aflow --proto=A2B_oI12_72_j_a --params=$a,b/a,c/a,x_{2},y_{2}$