SrSn$_{3}$ Structure: A3B_hR16_166_2h_2c-001
| Prototype | Sn$_{3}$Sr |
| AFLOW prototype label | A3B_hR16_166_2h_2c-001 |
| ICSD | 410956 |
| CCDC | 1726692 |
| Pearson symbol | hR16 |
| Space group number | 166 |
| Space group symbol | $R\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=A3B_hR16_166_2h_2c-001
--params=$a, \allowbreak c/a, \allowbreak x_{1}, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak z_{4}$ |
Other compounds with this structure
BaPb$_{3}$, Ba(Sn, Bi)$_{3}$, DyGa$_{3}$, PuGa$_{3}$
- The equilibrium phase diagram for the Sn-Sr system has been mapped by (Palenzona, 384):
Formula Structure Sr fcc ($A1$) Sr$_{2}$Sn Cotunnite, PbCl$_{2}$ ($C23$) Sr$_{5}$Sn$_{3}$ Cr$_{5}$B$_{3}$ ($D8_{l}$) SrSn CrB ($B33$) Sr$_{3}$Sn$_{5}$ Pd$_{5}$Pu$_{3}$ SrSn$_{3}$ SrSn$_{3}$ (this structure) SrSn$_{4}$ SrSn$_{4}$ Sn diamond ($A4$) or $\beta$–Sn ($A5$)
- BaPb$_{3}$ has also been found with small amounts calcium and strontium impurities on the barium sites.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{\sqrt{3}}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+x_{1} \, \mathbf{a}_{2}+x_{1} \, \mathbf{a}_{3}$ | = | $c x_{1} \,\mathbf{\hat{z}}$ | (2c) | Sr I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}- x_{1} \, \mathbf{a}_{3}$ | = | $- c x_{1} \,\mathbf{\hat{z}}$ | (2c) | Sr I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $c x_{2} \,\mathbf{\hat{z}}$ | (2c) | Sr II |
| $\mathbf{B_{4}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- c x_{2} \,\mathbf{\hat{z}}$ | (2c) | Sr II |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(2 x_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn I |
| $\mathbf{B_{6}}$ | = | $z_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(2 x_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn I |
| $\mathbf{B_{7}}$ | = | $x_{3} \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{\sqrt{3}}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(2 x_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn I |
| $\mathbf{B_{8}}$ | = | $- z_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(2 x_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn I |
| $\mathbf{B_{9}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(2 x_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn I |
| $\mathbf{B_{10}}$ | = | $- x_{3} \, \mathbf{a}_{1}- z_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{\sqrt{3}}a \left(x_{3} - z_{3}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(2 x_{3} + z_{3}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn I |
| $\mathbf{B_{11}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(2 x_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn II |
| $\mathbf{B_{12}}$ | = | $z_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(2 x_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn II |
| $\mathbf{B_{13}}$ | = | $x_{4} \, \mathbf{a}_{1}+z_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{\sqrt{3}}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(2 x_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn II |
| $\mathbf{B_{14}}$ | = | $- z_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(2 x_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn II |
| $\mathbf{B_{15}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(2 x_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn II |
| $\mathbf{B_{16}}$ | = | $- x_{4} \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{\sqrt{3}}a \left(x_{4} - z_{4}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(2 x_{4} + z_{4}\right) \,\mathbf{\hat{z}}$ | (6h) | Sn II |
References
- T. F. Fässler and S. Hoffmann, SrSn$_{3}$ - eine supraleitende Legierung mit freien Elektronenpaaren, Z. Anorganische und Allgemeine Chemie 626, 106–112 (2000), doi:10.1002/(SICI)1521-3749(200001)626:1<106::AID-ZAAC106>3.0.CO;2-W.
- A. Palenzona and M. Pani, The phase diagram of the Sr-Sn system, J. Alloys Compd. 384, 227–230 (2004), doi:10.1016/j.jallcom.2004.04.097.
Found in
- S. Hoffmann and T. F. Fässler, SrSn$_{4}$: A Superconducting Stannide with Localized and Delocalized Bond Character, Inorg. Chem. 42, 8748–8754 (2003), doi:10.1021/ic0302128.
First cited in
- N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).
Geometry files
Prototype Generator
aflow --proto=A3B_hR16_166_2h_2c --params=$a,c/a,x_{1},x_{2},x_{3},z_{3},x_{4},z_{4}$