Low Temperature CsW$_{2}$O$_{6}$ Structure: AB6C2_cP72_198_2a_4b_ab-001
| Prototype | CsO$_{6}$W$_{2}$ |
| AFLOW prototype label | AB6C2_cP72_198_2a_4b_ab-001 |
| ICSD | none |
| Pearson symbol | cP72 |
| Space group number | 198 |
| Space group symbol | $P2_13$ |
| AFLOW prototype command |
aflow --proto=AB6C2_cP72_198_2a_4b_ab-001
--params=$a, \allowbreak x_{1}, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}$ |
- This is the ground state structure of CsW$_{2}$O$_{6}$, with data taken at 100K. Above 215K this transforms into the cubic (or $\beta$-) pyrochlore structure, $E8_{1}$.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+x_{1} \, \mathbf{a}_{2}+x_{1} \, \mathbf{a}_{3}$ | = | $a x_{1} \,\mathbf{\hat{x}}+a x_{1} \,\mathbf{\hat{y}}+a x_{1} \,\mathbf{\hat{z}}$ | (4a) | Cs I |
| $\mathbf{B_{2}}$ | = | $- \left(x_{1} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{1} \, \mathbf{a}_{2}+\left(x_{1} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{1} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{1} \,\mathbf{\hat{y}}+a \left(x_{1} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4a) | Cs I |
| $\mathbf{B_{3}}$ | = | $- x_{1} \, \mathbf{a}_{1}+\left(x_{1} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{1} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{1} \,\mathbf{\hat{x}}+a \left(x_{1} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{1} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4a) | Cs I |
| $\mathbf{B_{4}}$ | = | $\left(x_{1} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{1} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{1} \, \mathbf{a}_{3}$ | = | $a \left(x_{1} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{1} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{1} \,\mathbf{\hat{z}}$ | (4a) | Cs I |
| $\mathbf{B_{5}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (4a) | Cs II |
| $\mathbf{B_{6}}$ | = | $- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4a) | Cs II |
| $\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4a) | Cs II |
| $\mathbf{B_{8}}$ | = | $\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (4a) | Cs II |
| $\mathbf{B_{9}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (4a) | W I |
| $\mathbf{B_{10}}$ | = | $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4a) | W I |
| $\mathbf{B_{11}}$ | = | $- x_{3} \, \mathbf{a}_{1}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (4a) | W I |
| $\mathbf{B_{12}}$ | = | $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (4a) | W I |
| $\mathbf{B_{13}}$ | = | $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{14}}$ | = | $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{15}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{16}}$ | = | $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{17}}$ | = | $z_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $a z_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{18}}$ | = | $\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{19}}$ | = | $- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{20}}$ | = | $- z_{4} \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{4} \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{21}}$ | = | $y_{4} \, \mathbf{a}_{1}+z_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{22}}$ | = | $- y_{4} \, \mathbf{a}_{1}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{23}}$ | = | $\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{24}}$ | = | $- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O I |
| $\mathbf{B_{25}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{26}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{27}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{28}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{29}}$ | = | $z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{30}}$ | = | $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{31}}$ | = | $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{32}}$ | = | $- z_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{33}}$ | = | $y_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{34}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{35}}$ | = | $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{36}}$ | = | $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O II |
| $\mathbf{B_{37}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $a x_{6} \,\mathbf{\hat{x}}+a y_{6} \,\mathbf{\hat{y}}+a z_{6} \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{38}}$ | = | $- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{6} \,\mathbf{\hat{y}}+a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{39}}$ | = | $- x_{6} \, \mathbf{a}_{1}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{6} \,\mathbf{\hat{x}}+a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{40}}$ | = | $\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{6} \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{41}}$ | = | $z_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+y_{6} \, \mathbf{a}_{3}$ | = | $a z_{6} \,\mathbf{\hat{x}}+a x_{6} \,\mathbf{\hat{y}}+a y_{6} \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{42}}$ | = | $\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{6} \, \mathbf{a}_{3}$ | = | $a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{6} \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{43}}$ | = | $- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}+\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{6} \,\mathbf{\hat{y}}+a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{44}}$ | = | $- z_{6} \, \mathbf{a}_{1}+\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{6} \,\mathbf{\hat{x}}+a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{45}}$ | = | $y_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ | = | $a y_{6} \,\mathbf{\hat{x}}+a z_{6} \,\mathbf{\hat{y}}+a x_{6} \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{46}}$ | = | $- y_{6} \, \mathbf{a}_{1}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{6} \,\mathbf{\hat{x}}+a \left(z_{6} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{6} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{47}}$ | = | $\left(y_{6} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ | = | $a \left(y_{6} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{6} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{6} \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{48}}$ | = | $- \left(y_{6} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}+\left(x_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{6} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{6} \,\mathbf{\hat{y}}+a \left(x_{6} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O III |
| $\mathbf{B_{49}}$ | = | $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $a x_{7} \,\mathbf{\hat{x}}+a y_{7} \,\mathbf{\hat{y}}+a z_{7} \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{50}}$ | = | $- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{7} \,\mathbf{\hat{y}}+a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{51}}$ | = | $- x_{7} \, \mathbf{a}_{1}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{7} \,\mathbf{\hat{x}}+a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{52}}$ | = | $\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{7} \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{53}}$ | = | $z_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+y_{7} \, \mathbf{a}_{3}$ | = | $a z_{7} \,\mathbf{\hat{x}}+a x_{7} \,\mathbf{\hat{y}}+a y_{7} \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{54}}$ | = | $\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{7} \, \mathbf{a}_{3}$ | = | $a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{7} \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{55}}$ | = | $- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}+\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{7} \,\mathbf{\hat{y}}+a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{56}}$ | = | $- z_{7} \, \mathbf{a}_{1}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{7} \,\mathbf{\hat{x}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{57}}$ | = | $y_{7} \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ | = | $a y_{7} \,\mathbf{\hat{x}}+a z_{7} \,\mathbf{\hat{y}}+a x_{7} \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{58}}$ | = | $- y_{7} \, \mathbf{a}_{1}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{7} \,\mathbf{\hat{x}}+a \left(z_{7} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{7} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{59}}$ | = | $\left(y_{7} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ | = | $a \left(y_{7} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{7} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{7} \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{60}}$ | = | $- \left(y_{7} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}+\left(x_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{7} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{7} \,\mathbf{\hat{y}}+a \left(x_{7} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | O IV |
| $\mathbf{B_{61}}$ | = | $x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $a x_{8} \,\mathbf{\hat{x}}+a y_{8} \,\mathbf{\hat{y}}+a z_{8} \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{62}}$ | = | $- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{8} \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{8} \,\mathbf{\hat{y}}+a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{63}}$ | = | $- x_{8} \, \mathbf{a}_{1}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{8} \,\mathbf{\hat{x}}+a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{64}}$ | = | $\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{8} \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{65}}$ | = | $z_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+y_{8} \, \mathbf{a}_{3}$ | = | $a z_{8} \,\mathbf{\hat{x}}+a x_{8} \,\mathbf{\hat{y}}+a y_{8} \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{66}}$ | = | $\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{8} \, \mathbf{a}_{3}$ | = | $a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{8} \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{67}}$ | = | $- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}+\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{8} \,\mathbf{\hat{y}}+a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{68}}$ | = | $- z_{8} \, \mathbf{a}_{1}+\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{8} \,\mathbf{\hat{x}}+a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{69}}$ | = | $y_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ | = | $a y_{8} \,\mathbf{\hat{x}}+a z_{8} \,\mathbf{\hat{y}}+a x_{8} \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{70}}$ | = | $- y_{8} \, \mathbf{a}_{1}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{8} \,\mathbf{\hat{x}}+a \left(z_{8} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{8} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{71}}$ | = | $\left(y_{8} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ | = | $a \left(y_{8} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{8} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{8} \,\mathbf{\hat{z}}$ | (12b) | W II |
| $\mathbf{B_{72}}$ | = | $- \left(y_{8} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{8} \, \mathbf{a}_{2}+\left(x_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{8} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{8} \,\mathbf{\hat{y}}+a \left(x_{8} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12b) | W II |
References
- Y. Okamoto, H. Amano, N. Katayama, H. Sawa, K. Niki, R. Mitoka, H. Harima, T. Hasegawa, N. Ogita, Y. Tanaka, M. Takigawa, Y. Yokoyama, K. Takehana, Y. Imanaka, Y. Nakamura, H. Kishida, and K. Takenaka, Regular-triangle trimer and charge order preserving the Anderson condition in the pyrochlore structure of CsW$_{2}$O$_{6}$, Nature Comm. 11, 3144 (2020), doi:10.1038/s41467-020-16873-7.
Found in
- Y. Okamoto, Unusual electron sharing found in cool crystal (2020). Phys.Org.
Prototype Generator
aflow --proto=AB6C2_cP72_198_2a_4b_ab --params=$a,x_{1},x_{2},x_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8}$