Y$_{3}$Cu$_{9}$(OH)$_{19}$Cl$_{8}$ Structure: A8B9C24D19E3_hR63_148_cf_df_4f_a3f_bc-001
| Prototype | Cl$_{3}$Cu$_{9}$H$_{19}$O$_{19}$Y$_{3}$ |
| AFLOW prototype label | A8B9C24D19E3_hR63_148_cf_df_4f_a3f_bc-001 |
| CCDC | 1532410 |
| Pearson symbol | hR63 |
| Space group number | 148 |
| Space group symbol | $R\overline{3}$ |
| AFLOW prototype command |
aflow --proto=A8B9C24D19E3_hR63_148_cf_df_4f_a3f_bc-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak y_{12}, \allowbreak z_{12}, \allowbreak x_{13}, \allowbreak y_{13}, \allowbreak z_{13}, \allowbreak x_{14}, \allowbreak y_{14}, \allowbreak z_{14}$ |
- Only 1/6 of the sites allocated for H-I (18f) are occupied. These H-I hydrogen sites are arranged in hexagons around the oxygen O-I atoms. As the separation between them is only 0.82Å it is likely that the atoms are all in one of the two possible isosceles triangles surrounding each oxygen.
- Hexagonal settings of this structure can be obtained with the option
--hex.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{\sqrt{3}}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{3}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | O I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1b) | Y I |
| $\mathbf{B_{3}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $c x_{3} \,\mathbf{\hat{z}}$ | (2c) | Cl I |
| $\mathbf{B_{4}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $- c x_{3} \,\mathbf{\hat{z}}$ | (2c) | Cl I |
| $\mathbf{B_{5}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $c x_{4} \,\mathbf{\hat{z}}$ | (2c) | Y II |
| $\mathbf{B_{6}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- c x_{4} \,\mathbf{\hat{z}}$ | (2c) | Y II |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{12}a \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3d) | Cu I |
| $\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3d) | Cu I |
| $\mathbf{B_{9}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{12}a \,\mathbf{\hat{y}}+\frac{1}{6}c \,\mathbf{\hat{z}}$ | (3d) | Cu I |
| $\mathbf{B_{10}}$ | = | $x_{6} \, \mathbf{a}_{1}+y_{6} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} - z_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{6} - 2 y_{6} + z_{6}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{6} + y_{6} + z_{6}\right) \,\mathbf{\hat{z}}$ | (6f) | Cl II |
| $\mathbf{B_{11}}$ | = | $z_{6} \, \mathbf{a}_{1}+x_{6} \, \mathbf{a}_{2}+y_{6} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{6} - z_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{6} - y_{6} - z_{6}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{6} + y_{6} + z_{6}\right) \,\mathbf{\hat{z}}$ | (6f) | Cl II |
| $\mathbf{B_{12}}$ | = | $y_{6} \, \mathbf{a}_{1}+z_{6} \, \mathbf{a}_{2}+x_{6} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{6} + y_{6} - 2 z_{6}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{6} + y_{6} + z_{6}\right) \,\mathbf{\hat{z}}$ | (6f) | Cl II |
| $\mathbf{B_{13}}$ | = | $- x_{6} \, \mathbf{a}_{1}- y_{6} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{6} - z_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{6} - 2 y_{6} + z_{6}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{6} + y_{6} + z_{6}\right) \,\mathbf{\hat{z}}$ | (6f) | Cl II |
| $\mathbf{B_{14}}$ | = | $- z_{6} \, \mathbf{a}_{1}- x_{6} \, \mathbf{a}_{2}- y_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{6} - z_{6}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{6} - y_{6} - z_{6}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{6} + y_{6} + z_{6}\right) \,\mathbf{\hat{z}}$ | (6f) | Cl II |
| $\mathbf{B_{15}}$ | = | $- y_{6} \, \mathbf{a}_{1}- z_{6} \, \mathbf{a}_{2}- x_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{6} - y_{6}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{6} + y_{6} - 2 z_{6}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{6} + y_{6} + z_{6}\right) \,\mathbf{\hat{z}}$ | (6f) | Cl II |
| $\mathbf{B_{16}}$ | = | $x_{7} \, \mathbf{a}_{1}+y_{7} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{7} - z_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{7} - 2 y_{7} + z_{7}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{7} + y_{7} + z_{7}\right) \,\mathbf{\hat{z}}$ | (6f) | Cu II |
| $\mathbf{B_{17}}$ | = | $z_{7} \, \mathbf{a}_{1}+x_{7} \, \mathbf{a}_{2}+y_{7} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{7} - z_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{7} - y_{7} - z_{7}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{7} + y_{7} + z_{7}\right) \,\mathbf{\hat{z}}$ | (6f) | Cu II |
| $\mathbf{B_{18}}$ | = | $y_{7} \, \mathbf{a}_{1}+z_{7} \, \mathbf{a}_{2}+x_{7} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{7} + y_{7} - 2 z_{7}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{7} + y_{7} + z_{7}\right) \,\mathbf{\hat{z}}$ | (6f) | Cu II |
| $\mathbf{B_{19}}$ | = | $- x_{7} \, \mathbf{a}_{1}- y_{7} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{7} - z_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{7} - 2 y_{7} + z_{7}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{7} + y_{7} + z_{7}\right) \,\mathbf{\hat{z}}$ | (6f) | Cu II |
| $\mathbf{B_{20}}$ | = | $- z_{7} \, \mathbf{a}_{1}- x_{7} \, \mathbf{a}_{2}- y_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{7} - z_{7}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{7} - y_{7} - z_{7}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{7} + y_{7} + z_{7}\right) \,\mathbf{\hat{z}}$ | (6f) | Cu II |
| $\mathbf{B_{21}}$ | = | $- y_{7} \, \mathbf{a}_{1}- z_{7} \, \mathbf{a}_{2}- x_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{7} - y_{7}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{7} + y_{7} - 2 z_{7}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{7} + y_{7} + z_{7}\right) \,\mathbf{\hat{z}}$ | (6f) | Cu II |
| $\mathbf{B_{22}}$ | = | $x_{8} \, \mathbf{a}_{1}+y_{8} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{8} - z_{8}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{8} - 2 y_{8} + z_{8}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{8} + y_{8} + z_{8}\right) \,\mathbf{\hat{z}}$ | (6f) | H I |
| $\mathbf{B_{23}}$ | = | $z_{8} \, \mathbf{a}_{1}+x_{8} \, \mathbf{a}_{2}+y_{8} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{8} - z_{8}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{8} - y_{8} - z_{8}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{8} + y_{8} + z_{8}\right) \,\mathbf{\hat{z}}$ | (6f) | H I |
| $\mathbf{B_{24}}$ | = | $y_{8} \, \mathbf{a}_{1}+z_{8} \, \mathbf{a}_{2}+x_{8} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{8} - y_{8}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{8} + y_{8} - 2 z_{8}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{8} + y_{8} + z_{8}\right) \,\mathbf{\hat{z}}$ | (6f) | H I |
| $\mathbf{B_{25}}$ | = | $- x_{8} \, \mathbf{a}_{1}- y_{8} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{8} - z_{8}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{8} - 2 y_{8} + z_{8}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{8} + y_{8} + z_{8}\right) \,\mathbf{\hat{z}}$ | (6f) | H I |
| $\mathbf{B_{26}}$ | = | $- z_{8} \, \mathbf{a}_{1}- x_{8} \, \mathbf{a}_{2}- y_{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{8} - z_{8}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{8} - y_{8} - z_{8}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{8} + y_{8} + z_{8}\right) \,\mathbf{\hat{z}}$ | (6f) | H I |
| $\mathbf{B_{27}}$ | = | $- y_{8} \, \mathbf{a}_{1}- z_{8} \, \mathbf{a}_{2}- x_{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{8} - y_{8}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{8} + y_{8} - 2 z_{8}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{8} + y_{8} + z_{8}\right) \,\mathbf{\hat{z}}$ | (6f) | H I |
| $\mathbf{B_{28}}$ | = | $x_{9} \, \mathbf{a}_{1}+y_{9} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{9} - z_{9}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{9} - 2 y_{9} + z_{9}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{9} + y_{9} + z_{9}\right) \,\mathbf{\hat{z}}$ | (6f) | H II |
| $\mathbf{B_{29}}$ | = | $z_{9} \, \mathbf{a}_{1}+x_{9} \, \mathbf{a}_{2}+y_{9} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{9} - z_{9}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{9} - y_{9} - z_{9}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{9} + y_{9} + z_{9}\right) \,\mathbf{\hat{z}}$ | (6f) | H II |
| $\mathbf{B_{30}}$ | = | $y_{9} \, \mathbf{a}_{1}+z_{9} \, \mathbf{a}_{2}+x_{9} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{9} - y_{9}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{9} + y_{9} - 2 z_{9}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{9} + y_{9} + z_{9}\right) \,\mathbf{\hat{z}}$ | (6f) | H II |
| $\mathbf{B_{31}}$ | = | $- x_{9} \, \mathbf{a}_{1}- y_{9} \, \mathbf{a}_{2}- z_{9} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{9} - z_{9}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{9} - 2 y_{9} + z_{9}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{9} + y_{9} + z_{9}\right) \,\mathbf{\hat{z}}$ | (6f) | H II |
| $\mathbf{B_{32}}$ | = | $- z_{9} \, \mathbf{a}_{1}- x_{9} \, \mathbf{a}_{2}- y_{9} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{9} - z_{9}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{9} - y_{9} - z_{9}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{9} + y_{9} + z_{9}\right) \,\mathbf{\hat{z}}$ | (6f) | H II |
| $\mathbf{B_{33}}$ | = | $- y_{9} \, \mathbf{a}_{1}- z_{9} \, \mathbf{a}_{2}- x_{9} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{9} - y_{9}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{9} + y_{9} - 2 z_{9}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{9} + y_{9} + z_{9}\right) \,\mathbf{\hat{z}}$ | (6f) | H II |
| $\mathbf{B_{34}}$ | = | $x_{10} \, \mathbf{a}_{1}+y_{10} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{10} - z_{10}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{10} - 2 y_{10} + z_{10}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{10} + y_{10} + z_{10}\right) \,\mathbf{\hat{z}}$ | (6f) | H III |
| $\mathbf{B_{35}}$ | = | $z_{10} \, \mathbf{a}_{1}+x_{10} \, \mathbf{a}_{2}+y_{10} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{10} - z_{10}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{10} - y_{10} - z_{10}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{10} + y_{10} + z_{10}\right) \,\mathbf{\hat{z}}$ | (6f) | H III |
| $\mathbf{B_{36}}$ | = | $y_{10} \, \mathbf{a}_{1}+z_{10} \, \mathbf{a}_{2}+x_{10} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{10} - y_{10}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{10} + y_{10} - 2 z_{10}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{10} + y_{10} + z_{10}\right) \,\mathbf{\hat{z}}$ | (6f) | H III |
| $\mathbf{B_{37}}$ | = | $- x_{10} \, \mathbf{a}_{1}- y_{10} \, \mathbf{a}_{2}- z_{10} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{10} - z_{10}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{10} - 2 y_{10} + z_{10}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{10} + y_{10} + z_{10}\right) \,\mathbf{\hat{z}}$ | (6f) | H III |
| $\mathbf{B_{38}}$ | = | $- z_{10} \, \mathbf{a}_{1}- x_{10} \, \mathbf{a}_{2}- y_{10} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{10} - z_{10}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{10} - y_{10} - z_{10}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{10} + y_{10} + z_{10}\right) \,\mathbf{\hat{z}}$ | (6f) | H III |
| $\mathbf{B_{39}}$ | = | $- y_{10} \, \mathbf{a}_{1}- z_{10} \, \mathbf{a}_{2}- x_{10} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{10} - y_{10}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{10} + y_{10} - 2 z_{10}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{10} + y_{10} + z_{10}\right) \,\mathbf{\hat{z}}$ | (6f) | H III |
| $\mathbf{B_{40}}$ | = | $x_{11} \, \mathbf{a}_{1}+y_{11} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{11} - z_{11}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{11} - 2 y_{11} + z_{11}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{11} + y_{11} + z_{11}\right) \,\mathbf{\hat{z}}$ | (6f) | H IV |
| $\mathbf{B_{41}}$ | = | $z_{11} \, \mathbf{a}_{1}+x_{11} \, \mathbf{a}_{2}+y_{11} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{11} - z_{11}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{11} - y_{11} - z_{11}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{11} + y_{11} + z_{11}\right) \,\mathbf{\hat{z}}$ | (6f) | H IV |
| $\mathbf{B_{42}}$ | = | $y_{11} \, \mathbf{a}_{1}+z_{11} \, \mathbf{a}_{2}+x_{11} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{11} - y_{11}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{11} + y_{11} - 2 z_{11}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{11} + y_{11} + z_{11}\right) \,\mathbf{\hat{z}}$ | (6f) | H IV |
| $\mathbf{B_{43}}$ | = | $- x_{11} \, \mathbf{a}_{1}- y_{11} \, \mathbf{a}_{2}- z_{11} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{11} - z_{11}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{11} - 2 y_{11} + z_{11}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{11} + y_{11} + z_{11}\right) \,\mathbf{\hat{z}}$ | (6f) | H IV |
| $\mathbf{B_{44}}$ | = | $- z_{11} \, \mathbf{a}_{1}- x_{11} \, \mathbf{a}_{2}- y_{11} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{11} - z_{11}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{11} - y_{11} - z_{11}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{11} + y_{11} + z_{11}\right) \,\mathbf{\hat{z}}$ | (6f) | H IV |
| $\mathbf{B_{45}}$ | = | $- y_{11} \, \mathbf{a}_{1}- z_{11} \, \mathbf{a}_{2}- x_{11} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{11} - y_{11}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{11} + y_{11} - 2 z_{11}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{11} + y_{11} + z_{11}\right) \,\mathbf{\hat{z}}$ | (6f) | H IV |
| $\mathbf{B_{46}}$ | = | $x_{12} \, \mathbf{a}_{1}+y_{12} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{12} - z_{12}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{12} - 2 y_{12} + z_{12}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{12} + y_{12} + z_{12}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{47}}$ | = | $z_{12} \, \mathbf{a}_{1}+x_{12} \, \mathbf{a}_{2}+y_{12} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{12} - z_{12}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{12} - y_{12} - z_{12}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{12} + y_{12} + z_{12}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{48}}$ | = | $y_{12} \, \mathbf{a}_{1}+z_{12} \, \mathbf{a}_{2}+x_{12} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{12} - y_{12}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{12} + y_{12} - 2 z_{12}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{12} + y_{12} + z_{12}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{49}}$ | = | $- x_{12} \, \mathbf{a}_{1}- y_{12} \, \mathbf{a}_{2}- z_{12} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{12} - z_{12}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{12} - 2 y_{12} + z_{12}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{12} + y_{12} + z_{12}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{50}}$ | = | $- z_{12} \, \mathbf{a}_{1}- x_{12} \, \mathbf{a}_{2}- y_{12} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{12} - z_{12}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{12} - y_{12} - z_{12}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{12} + y_{12} + z_{12}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{51}}$ | = | $- y_{12} \, \mathbf{a}_{1}- z_{12} \, \mathbf{a}_{2}- x_{12} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{12} - y_{12}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{12} + y_{12} - 2 z_{12}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{12} + y_{12} + z_{12}\right) \,\mathbf{\hat{z}}$ | (6f) | O II |
| $\mathbf{B_{52}}$ | = | $x_{13} \, \mathbf{a}_{1}+y_{13} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{13} - z_{13}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{13} - 2 y_{13} + z_{13}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{13} + y_{13} + z_{13}\right) \,\mathbf{\hat{z}}$ | (6f) | O III |
| $\mathbf{B_{53}}$ | = | $z_{13} \, \mathbf{a}_{1}+x_{13} \, \mathbf{a}_{2}+y_{13} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{13} - z_{13}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{13} - y_{13} - z_{13}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{13} + y_{13} + z_{13}\right) \,\mathbf{\hat{z}}$ | (6f) | O III |
| $\mathbf{B_{54}}$ | = | $y_{13} \, \mathbf{a}_{1}+z_{13} \, \mathbf{a}_{2}+x_{13} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{13} - y_{13}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{13} + y_{13} - 2 z_{13}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{13} + y_{13} + z_{13}\right) \,\mathbf{\hat{z}}$ | (6f) | O III |
| $\mathbf{B_{55}}$ | = | $- x_{13} \, \mathbf{a}_{1}- y_{13} \, \mathbf{a}_{2}- z_{13} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{13} - z_{13}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{13} - 2 y_{13} + z_{13}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{13} + y_{13} + z_{13}\right) \,\mathbf{\hat{z}}$ | (6f) | O III |
| $\mathbf{B_{56}}$ | = | $- z_{13} \, \mathbf{a}_{1}- x_{13} \, \mathbf{a}_{2}- y_{13} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{13} - z_{13}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{13} - y_{13} - z_{13}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{13} + y_{13} + z_{13}\right) \,\mathbf{\hat{z}}$ | (6f) | O III |
| $\mathbf{B_{57}}$ | = | $- y_{13} \, \mathbf{a}_{1}- z_{13} \, \mathbf{a}_{2}- x_{13} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{13} - y_{13}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{13} + y_{13} - 2 z_{13}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{13} + y_{13} + z_{13}\right) \,\mathbf{\hat{z}}$ | (6f) | O III |
| $\mathbf{B_{58}}$ | = | $x_{14} \, \mathbf{a}_{1}+y_{14} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{14} - z_{14}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{14} - 2 y_{14} + z_{14}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{14} + y_{14} + z_{14}\right) \,\mathbf{\hat{z}}$ | (6f) | O IV |
| $\mathbf{B_{59}}$ | = | $z_{14} \, \mathbf{a}_{1}+x_{14} \, \mathbf{a}_{2}+y_{14} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(y_{14} - z_{14}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(2 x_{14} - y_{14} - z_{14}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{14} + y_{14} + z_{14}\right) \,\mathbf{\hat{z}}$ | (6f) | O IV |
| $\mathbf{B_{60}}$ | = | $y_{14} \, \mathbf{a}_{1}+z_{14} \, \mathbf{a}_{2}+x_{14} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{14} - y_{14}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(x_{14} + y_{14} - 2 z_{14}\right) \,\mathbf{\hat{y}}+\frac{1}{3}c \left(x_{14} + y_{14} + z_{14}\right) \,\mathbf{\hat{z}}$ | (6f) | O IV |
| $\mathbf{B_{61}}$ | = | $- x_{14} \, \mathbf{a}_{1}- y_{14} \, \mathbf{a}_{2}- z_{14} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{14} - z_{14}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{14} - 2 y_{14} + z_{14}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{14} + y_{14} + z_{14}\right) \,\mathbf{\hat{z}}$ | (6f) | O IV |
| $\mathbf{B_{62}}$ | = | $- z_{14} \, \mathbf{a}_{1}- x_{14} \, \mathbf{a}_{2}- y_{14} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(y_{14} - z_{14}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \left(2 x_{14} - y_{14} - z_{14}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{14} + y_{14} + z_{14}\right) \,\mathbf{\hat{z}}$ | (6f) | O IV |
| $\mathbf{B_{63}}$ | = | $- y_{14} \, \mathbf{a}_{1}- z_{14} \, \mathbf{a}_{2}- x_{14} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{14} - y_{14}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \left(x_{14} + y_{14} - 2 z_{14}\right) \,\mathbf{\hat{y}}- \frac{1}{3}c \left(x_{14} + y_{14} + z_{14}\right) \,\mathbf{\hat{z}}$ | (6f) | O IV |
References
- P. Puphal, M. Bolte, D. Sheptyakov, A. Pustogow, K. Kliemt, M. Dressel, M. Baenitze, and C. Krellner, Strong magnetic frustration in Y$_{3}$Cu$_{9}$(OH)$_{19}$Cl$_{8}$: a distorted kagome antiferromagnet, J. Mater. Chem. C 5, 2629–2635 (2017), doi:10.1039/C6TC05110C.
Prototype Generator
aflow --proto=A8B9C24D19E3_hR63_148_cf_df_4f_a3f_bc --params=$a,c/a,x_{3},x_{4},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12},x_{13},y_{13},z_{13},x_{14},y_{14},z_{14}$