PdSn$_{4}$ Structure: AB4_oC20_68_a_i-001
| Prototype | PdSn$_{4}$ |
| AFLOW prototype label | AB4_oC20_68_a_i-001 |
| ICSD | 413280 |
| Pearson symbol | oC20 |
| Space group number | 68 |
| Space group symbol | $Ccce$ |
| AFLOW prototype command |
aflow --proto=AB4_oC20_68_a_i-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak x_{2}, \allowbreak y_{2}, \allowbreak z_{2}$ |
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{4}b \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (4a) | Pd I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+\frac{3}{4}c \,\mathbf{\hat{z}}$ | (4a) | Pd I |
| $\mathbf{B_{3}}$ | = | $\left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{4}}$ | = | $\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{5}}$ | = | $- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}- \left(z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}- c \left(z_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{6}}$ | = | $\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}- c \left(z_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{7}}$ | = | $- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}- c z_{2} \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{8}}$ | = | $\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}- c z_{2} \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{9}}$ | = | $\left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}+\left(z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}+c \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16i) | Sn I |
| $\mathbf{B_{10}}$ | = | $- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}+c \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16i) | Sn I |
References
- J. Nylén, F. J. G. Garcıà, B. D. Mosel, R. Pöttgen, and U. Häussermann, Structural relationships, phase stability and bonding of compounds PdSn$_{n}$ (n=2, 3, 4), Solid State Sci. 6, 147–155 (2004), doi:10.1016/j.solidstatesciences.2003.09.011.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
Prototype Generator
aflow --proto=AB4_oC20_68_a_i --params=$a,b/a,c/a,x_{2},y_{2},z_{2}$