β-Sn ($A5$) Structure: A_tI4_141_a-001
| Prototype | Sn |
| AFLOW prototype label | A_tI4_141_a-001 |
| Strukturbericht designation | $A5$ |
| ICSD | 52486 |
| Pearson symbol | tI4 |
| Space group number | 141 |
| Space group symbol | $I4_1/amd$ |
| AFLOW prototype command |
aflow --proto=A_tI4_141_a-001
--params=$a, \allowbreak c/a$ |
Other compounds with this structure
$\beta$-Ge
- When $c/a = \sqrt{2}$ this structure is equivalent to diamond ($A4$).
- The binary version of this structure is the GaSb (II) structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{8}c \,\mathbf{\hat{z}}$ | (4a) | Sn I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{4}a \,\mathbf{\hat{y}}+\frac{3}{8}c \,\mathbf{\hat{z}}$ | (4a) | Sn I |
References
- V. T. Deshpande and D. B. Sirdeshmukh, Thermal Expansion of Tetragonal Tin, Acta Cryst. 14, 355–356 (1961), doi:10.1107/S0365110X61001212.
Found in
- M. Winter, Tin: crystal structures (1993-2022). WebElements: the periodic table on the WWW, The University of Sheffield and WebElements Ltd, UK.
Prototype Generator
aflow --proto=A_tI4_141_a --params=$a,c/a$