Palladseite (Pd$_{17}$Se$_{15}$) Structure: A17B15_cP64_215_acg2i_f2i-001
| Prototype | Pd$_{17}$Se$_{15}$ |
| AFLOW prototype label | A17B15_cP64_215_acg2i_f2i-001 |
| Mineral name | palladseite |
| ICSD | none |
| Pearson symbol | cP64 |
| Space group number | 215 |
| Space group symbol | $P\overline{4}3m$ |
| AFLOW prototype command |
aflow --proto=A17B15_cP64_215_acg2i_f2i-001
--params=$a, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak x_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak z_{8}$ |
Other compounds with this structure
Rh$_{17}$S$_{15}$
- (Geller, 1962) determined that Pd$_{17}$Se$_{15}$ could be in space group $Pm\overline{3}m$ #221, $P\overline{4}3m$ #215 (this structure), or $P432$ #207, and finds that $Pm\overline{3}m$ gives the best fit to single-crystal X-ray diffraction pattern, even though the fit of the parameters for the all of the Wyckoff sites could not be converged. We therefore present all three structure possibilities.
- We shifted the coordinates of (Geller, 1962) to move the Pd-I atom from the center of the cubic cell, Wyckoff position (1b), to the origin, Wyckoff position (1a).
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Pd I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | Pd II |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | Pd II |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (3c) | Pd II |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}$ | = | $a x_{3} \,\mathbf{\hat{x}}$ | (6f) | Se I |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}$ | = | $- a x_{3} \,\mathbf{\hat{x}}$ | (6f) | Se I |
| $\mathbf{B_{7}}$ | = | $x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{y}}$ | (6f) | Se I |
| $\mathbf{B_{8}}$ | = | $- x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{y}}$ | (6f) | Se I |
| $\mathbf{B_{9}}$ | = | $x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{z}}$ | (6f) | Se I |
| $\mathbf{B_{10}}$ | = | $- x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{z}}$ | (6f) | Se I |
| $\mathbf{B_{11}}$ | = | $x_{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (6g) | Pd III |
| $\mathbf{B_{12}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (6g) | Pd III |
| $\mathbf{B_{13}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (6g) | Pd III |
| $\mathbf{B_{14}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (6g) | Pd III |
| $\mathbf{B_{15}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (6g) | Pd III |
| $\mathbf{B_{16}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (6g) | Pd III |
| $\mathbf{B_{17}}$ | = | $x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{18}}$ | = | $- x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{19}}$ | = | $- x_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{20}}$ | = | $x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{21}}$ | = | $z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{22}}$ | = | $z_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{23}}$ | = | $- z_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{24}}$ | = | $- z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{25}}$ | = | $x_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{26}}$ | = | $- x_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{27}}$ | = | $x_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{28}}$ | = | $- x_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (12i) | Pd IV |
| $\mathbf{B_{29}}$ | = | $x_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}+a z_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{30}}$ | = | $- x_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}+a z_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{31}}$ | = | $- x_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}- a z_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{32}}$ | = | $x_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}- a z_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{33}}$ | = | $z_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ | = | $a z_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{34}}$ | = | $z_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ | = | $a z_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{35}}$ | = | $- z_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ | = | $- a z_{6} \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{36}}$ | = | $- z_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ | = | $- a z_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{37}}$ | = | $x_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+a z_{6} \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{38}}$ | = | $- x_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}+a z_{6} \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{39}}$ | = | $x_{6} \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}- a z_{6} \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{40}}$ | = | $- x_{6} \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}- a z_{6} \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ | (12i) | Pd V |
| $\mathbf{B_{41}}$ | = | $x_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}+a z_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{42}}$ | = | $- x_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}+a z_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{43}}$ | = | $- x_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}- a z_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{44}}$ | = | $x_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}- a z_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{45}}$ | = | $z_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ | = | $a z_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{46}}$ | = | $z_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ | = | $a z_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{47}}$ | = | $- z_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ | = | $- a z_{7} \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{48}}$ | = | $- z_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ | = | $- a z_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{49}}$ | = | $x_{7} \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+a z_{7} \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{50}}$ | = | $- x_{7} \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}+a z_{7} \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{51}}$ | = | $x_{7} \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}- a z_{7} \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{52}}$ | = | $- x_{7} \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}- a z_{7} \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ | (12i) | Se II |
| $\mathbf{B_{53}}$ | = | $x_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}+a z_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{54}}$ | = | $- x_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}+a z_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{55}}$ | = | $- x_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}- a z_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{56}}$ | = | $x_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}- a z_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{57}}$ | = | $z_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ | = | $a z_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{58}}$ | = | $z_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ | = | $a z_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{59}}$ | = | $- z_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ | = | $- a z_{8} \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{60}}$ | = | $- z_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ | = | $- a z_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{61}}$ | = | $x_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+a z_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{62}}$ | = | $- x_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}+a z_{8} \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{63}}$ | = | $x_{8} \, \mathbf{a}_{1}- z_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}- a z_{8} \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
| $\mathbf{B_{64}}$ | = | $- x_{8} \, \mathbf{a}_{1}- z_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}- a z_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ | (12i) | Se III |
References
- S. Geller, The Crystal Structure of Pd$_{17}$Se$_{15}$, Acta Cryst. 15, 713–721 (1962), doi:10.1107/S0365110X62001929.
Prototype Generator
aflow --proto=A17B15_cP64_215_acg2i_f2i --params=$a,x_{3},x_{4},x_{5},z_{5},x_{6},z_{6},x_{7},z_{7},x_{8},z_{8}$