Ca$_{3}$Al$_{2}$(OH)$_{12}$ ($J2_{3}$) Structure: A2B3C12D12_cI232_230_a_c_h_h-001
| Prototype | Al$_{2}$Ca$_{3}$H$_{12}$O$_{12}$ |
| AFLOW prototype label | A2B3C12D12_cI232_230_a_c_h_h-001 |
| Strukturbericht designation | $J2_{3}$ |
| ICSD | 62704 |
| Pearson symbol | cI232 |
| Space group number | 230 |
| Space group symbol | $Ia\overline{3}d$ |
| AFLOW prototype command |
aflow --proto=A2B3C12D12_cI232_230_a_c_h_h-001
--params=$a, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}$ |
- The original determination of this structure by (Brandenberger, 1933) did not locate the hydrogen atoms, and according to (Gottfried, 1937) used the coordinates of garnet, $S1_{4}$. (Bartl, 1986) was able to locate the hydrogen atoms, and as they do not change the space group we include them in the $J2_{3}$ structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (16a) | Al I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (16a) | Al I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}$ | (16a) | Al I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{z}}$ | (16a) | Al I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $- \frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16a) | Al I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16a) | Al I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}- \frac{1}{4}a \,\mathbf{\hat{z}}$ | (16a) | Al I |
| $\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16a) | Al I |
| $\mathbf{B_{9}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{10}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $- \frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{11}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}$ | (24c) | Ca I |
| $\mathbf{B_{12}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{13}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{14}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}- \frac{1}{8}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{15}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{16}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $\frac{5}{8}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{17}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{18}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}$ | (24c) | Ca I |
| $\mathbf{B_{19}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{20}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ | (24c) | Ca I |
| $\mathbf{B_{21}}$ | = | $\left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}+a z_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{22}}$ | = | $\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{23}}$ | = | $\left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}- a z_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{24}}$ | = | $- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{25}}$ | = | $\left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $a z_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{26}}$ | = | $- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $a z_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{27}}$ | = | $\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{3} \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{28}}$ | = | $\left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{29}}$ | = | $\left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}+a z_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{30}}$ | = | $- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{31}}$ | = | $- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}- a z_{3} \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{32}}$ | = | $\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{33}}$ | = | $\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{34}}$ | = | $- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{35}}$ | = | $- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{36}}$ | = | $\left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{37}}$ | = | $\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{38}}$ | = | $\left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{39}}$ | = | $- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{40}}$ | = | $\left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{41}}$ | = | $\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{42}}$ | = | $\left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{43}}$ | = | $\left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{44}}$ | = | $- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{45}}$ | = | $- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}- a z_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{46}}$ | = | $\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{47}}$ | = | $- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}+a z_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{48}}$ | = | $\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{49}}$ | = | $- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a z_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{50}}$ | = | $\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a z_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{51}}$ | = | $\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a z_{3} \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{52}}$ | = | $- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{53}}$ | = | $- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}- a z_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{54}}$ | = | $\left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{55}}$ | = | $\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a y_{3} \,\mathbf{\hat{x}}+a z_{3} \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{56}}$ | = | $\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{3} \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{57}}$ | = | $\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{58}}$ | = | $\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{59}}$ | = | $\left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{60}}$ | = | $- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{61}}$ | = | $\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{62}}$ | = | $- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{63}}$ | = | $\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{64}}$ | = | $- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{65}}$ | = | $\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{66}}$ | = | $- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{67}}$ | = | $- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{68}}$ | = | $\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | H I |
| $\mathbf{B_{69}}$ | = | $\left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{70}}$ | = | $\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{71}}$ | = | $\left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{72}}$ | = | $- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{73}}$ | = | $\left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $a z_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{74}}$ | = | $- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $a z_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{75}}$ | = | $\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{4} \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{76}}$ | = | $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{77}}$ | = | $\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{78}}$ | = | $- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{79}}$ | = | $- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{80}}$ | = | $\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{81}}$ | = | $\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{82}}$ | = | $- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{83}}$ | = | $- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{84}}$ | = | $\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{85}}$ | = | $\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{86}}$ | = | $\left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{87}}$ | = | $- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{88}}$ | = | $\left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{89}}$ | = | $\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{90}}$ | = | $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{91}}$ | = | $\left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{92}}$ | = | $- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{93}}$ | = | $- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{94}}$ | = | $\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{95}}$ | = | $- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{96}}$ | = | $\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{97}}$ | = | $- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a z_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{98}}$ | = | $\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a z_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{99}}$ | = | $\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a z_{4} \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{100}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{101}}$ | = | $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{102}}$ | = | $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{103}}$ | = | $\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{104}}$ | = | $\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{105}}$ | = | $\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{106}}$ | = | $\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{107}}$ | = | $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{108}}$ | = | $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{109}}$ | = | $\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{110}}$ | = | $- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{111}}$ | = | $\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{112}}$ | = | $- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{113}}$ | = | $\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{114}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{115}}$ | = | $- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
| $\mathbf{B_{116}}$ | = | $\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96h) | O I |
References
- H. Bartl, Tricalciumaluminathexahydrat, Ca$_{3}$[Al(OH)$_{6}$]$_{2}$, Bindungslängen und -valenzen aus Röntgeneinkristallmessungen, Fresenius Z. Anal. Chem. 324, 124–126 (1986), doi:10.1007/BF00473351.
- C. Gottfried and F. Schossberger, eds., Strukturbericht Band III 1933-1935 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
- E. Brandenberger, Kristallstrukturell Untersuchungen an Calciumaluminathydraten, Schweiz. Min. Petr. Mitt. 13 (1933).
Prototype Generator
aflow --proto=A2B3C12D12_cI232_230_a_c_h_h --params=$a,x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}$