Stibiopalladinite (Pd$_{5}$Sb$_{2}$) Structure: A5B2_hP42_185_ab4c_abc-001
| Prototype | Pd$_{5}$Sb$_{2}$ |
| AFLOW prototype label | A5B2_hP42_185_ab4c_abc-001 |
| Mineral name | stibiopalladinite |
| ICSD | 648776 |
| Pearson symbol | hP42 |
| Space group number | 185 |
| Space group symbol | $P6_3cm$ |
| AFLOW prototype command |
aflow --proto=A5B2_hP42_185_ab4c_abc-001
--params=$a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}, \allowbreak z_{3}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak z_{9}$ |
Other compounds with this structure
Ni$_{5}$As$_{2}$ (orcelite)
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{3}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (2a) | Pd I |
| $\mathbf{B_{2}}$ | = | $\left(z_{1} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $c \left(z_{1} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (2a) | Pd I |
| $\mathbf{B_{3}}$ | = | $z_{2} \, \mathbf{a}_{3}$ | = | $c z_{2} \,\mathbf{\hat{z}}$ | (2a) | Sb I |
| $\mathbf{B_{4}}$ | = | $\left(z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $c \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (2a) | Sb I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (4b) | Pd II |
| $\mathbf{B_{6}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4b) | Pd II |
| $\mathbf{B_{7}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4b) | Pd II |
| $\mathbf{B_{8}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (4b) | Pd II |
| $\mathbf{B_{9}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (4b) | Sb II |
| $\mathbf{B_{10}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4b) | Sb II |
| $\mathbf{B_{11}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4b) | Sb II |
| $\mathbf{B_{12}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (4b) | Sb II |
| $\mathbf{B_{13}}$ | = | $x_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{5} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (6c) | Pd III |
| $\mathbf{B_{14}}$ | = | $x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{5} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (6c) | Pd III |
| $\mathbf{B_{15}}$ | = | $- x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+c z_{5} \,\mathbf{\hat{z}}$ | (6c) | Pd III |
| $\mathbf{B_{16}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{5} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd III |
| $\mathbf{B_{17}}$ | = | $- x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{5} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd III |
| $\mathbf{B_{18}}$ | = | $x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+c \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd III |
| $\mathbf{B_{19}}$ | = | $x_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{6} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (6c) | Pd IV |
| $\mathbf{B_{20}}$ | = | $x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{6} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (6c) | Pd IV |
| $\mathbf{B_{21}}$ | = | $- x_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}+c z_{6} \,\mathbf{\hat{z}}$ | (6c) | Pd IV |
| $\mathbf{B_{22}}$ | = | $- x_{6} \, \mathbf{a}_{1}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{6} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd IV |
| $\mathbf{B_{23}}$ | = | $- x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{6} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd IV |
| $\mathbf{B_{24}}$ | = | $x_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+c \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd IV |
| $\mathbf{B_{25}}$ | = | $x_{7} \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{7} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (6c) | Pd V |
| $\mathbf{B_{26}}$ | = | $x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{7} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (6c) | Pd V |
| $\mathbf{B_{27}}$ | = | $- x_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}+c z_{7} \,\mathbf{\hat{z}}$ | (6c) | Pd V |
| $\mathbf{B_{28}}$ | = | $- x_{7} \, \mathbf{a}_{1}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{7} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd V |
| $\mathbf{B_{29}}$ | = | $- x_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{7} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd V |
| $\mathbf{B_{30}}$ | = | $x_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+c \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd V |
| $\mathbf{B_{31}}$ | = | $x_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{8} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (6c) | Pd VI |
| $\mathbf{B_{32}}$ | = | $x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{8} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{8} \,\mathbf{\hat{y}}+c z_{8} \,\mathbf{\hat{z}}$ | (6c) | Pd VI |
| $\mathbf{B_{33}}$ | = | $- x_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}+c z_{8} \,\mathbf{\hat{z}}$ | (6c) | Pd VI |
| $\mathbf{B_{34}}$ | = | $- x_{8} \, \mathbf{a}_{1}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{8} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{8} \,\mathbf{\hat{y}}+c \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd VI |
| $\mathbf{B_{35}}$ | = | $- x_{8} \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{8} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{8} \,\mathbf{\hat{y}}+c \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd VI |
| $\mathbf{B_{36}}$ | = | $x_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+c \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Pd VI |
| $\mathbf{B_{37}}$ | = | $x_{9} \, \mathbf{a}_{1}+z_{9} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{9} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (6c) | Sb III |
| $\mathbf{B_{38}}$ | = | $x_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a x_{9} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{9} \,\mathbf{\hat{y}}+c z_{9} \,\mathbf{\hat{z}}$ | (6c) | Sb III |
| $\mathbf{B_{39}}$ | = | $- x_{9} \, \mathbf{a}_{1}- x_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $- a x_{9} \,\mathbf{\hat{x}}+c z_{9} \,\mathbf{\hat{z}}$ | (6c) | Sb III |
| $\mathbf{B_{40}}$ | = | $- x_{9} \, \mathbf{a}_{1}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{9} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{9} \,\mathbf{\hat{y}}+c \left(z_{9} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Sb III |
| $\mathbf{B_{41}}$ | = | $- x_{9} \, \mathbf{a}_{2}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a x_{9} \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a x_{9} \,\mathbf{\hat{y}}+c \left(z_{9} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Sb III |
| $\mathbf{B_{42}}$ | = | $x_{9} \, \mathbf{a}_{1}+x_{9} \, \mathbf{a}_{2}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{9} \,\mathbf{\hat{x}}+c \left(z_{9} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (6c) | Sb III |
References
- M. El-Boragy, S. Bhan, and K. Schubert, Kristallstruktur von Pd$_{5}$Sb$_{2}$ und Ni$_{5}$As$_{2}$ und einigen varianten, J. Less-Common Met. 22, 445–458 (1970), doi:10.1016/0022-5088(70)90132-3.
Prototype Generator
aflow --proto=A5B2_hP42_185_ab4c_abc --params=$a,c/a,z_{1},z_{2},z_{3},z_{4},x_{5},z_{5},x_{6},z_{6},x_{7},z_{7},x_{8},z_{8},x_{9},z_{9}$