Ni$_{5}$(TeO$_{3}$)$_{4}$Cl$_{2}$ Structure: A2B5C12D4_mC92_15_f_e2f_6f_2f-001
| Prototype | Cl$_{2}$Ni$_{5}$O$_{12}$Te$_{4}$ |
| AFLOW prototype label | A2B5C12D4_mC92_15_f_e2f_6f_2f-001 |
| ICSD | 96911 |
| CCDC | 1656247 |
| Pearson symbol | mC92 |
| Space group number | 15 |
| Space group symbol | $C2/c$ |
| AFLOW prototype command |
aflow --proto=A2B5C12D4_mC92_15_f_e2f_6f_2f-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak y_{1}, \allowbreak x_{2}, \allowbreak y_{2}, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak y_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak y_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak y_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak y_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak y_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak y_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak y_{12}, \allowbreak z_{12}$ |
Other compounds with this structure
Co$_{5}$(TeO$_{3}$)$_{4}$Br$_{2}$, Co$_{5}$(TeO$_{3}$)$_{4}$Cl$_{2}$, Co$_{5}$(TeO$_{3}$)$_{4}$I$_{2}$, Ni$_{5}$(TeO$_{3}$)$_{4}$Br$_{2}$, Ni$_{5}$(TeO$_{3}$)$_{4}$I$_{2}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $- y_{1} \, \mathbf{a}_{1}+y_{1} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}c \cos{\beta} \,\mathbf{\hat{x}}+b y_{1} \,\mathbf{\hat{y}}+\frac{1}{4}c \sin{\beta} \,\mathbf{\hat{z}}$ | (4e) | Ni I |
| $\mathbf{B_{2}}$ | = | $y_{1} \, \mathbf{a}_{1}- y_{1} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}c \cos{\beta} \,\mathbf{\hat{x}}- b y_{1} \,\mathbf{\hat{y}}+\frac{3}{4}c \sin{\beta} \,\mathbf{\hat{z}}$ | (4e) | Ni I |
| $\mathbf{B_{3}}$ | = | $\left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}+c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Cl I |
| $\mathbf{B_{4}}$ | = | $- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}- \left(z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{2} + c \left(z_{2} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{2} \,\mathbf{\hat{y}}- c \left(z_{2} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Cl I |
| $\mathbf{B_{5}}$ | = | $- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $- \left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}- c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Cl I |
| $\mathbf{B_{6}}$ | = | $\left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}+\left(z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{2} + c \left(z_{2} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{2} \,\mathbf{\hat{y}}+c \left(z_{2} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Cl I |
| $\mathbf{B_{7}}$ | = | $\left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}+c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni II |
| $\mathbf{B_{8}}$ | = | $- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}- \left(z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + c \left(z_{3} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{3} \,\mathbf{\hat{y}}- c \left(z_{3} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni II |
| $\mathbf{B_{9}}$ | = | $- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{3} \,\mathbf{\hat{y}}- c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni II |
| $\mathbf{B_{10}}$ | = | $\left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}+\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + c \left(z_{3} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{3} \,\mathbf{\hat{y}}+c \left(z_{3} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni II |
| $\mathbf{B_{11}}$ | = | $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}+c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni III |
| $\mathbf{B_{12}}$ | = | $- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- \left(z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{4} + c \left(z_{4} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{4} \,\mathbf{\hat{y}}- c \left(z_{4} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni III |
| $\mathbf{B_{13}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{4} \,\mathbf{\hat{y}}- c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni III |
| $\mathbf{B_{14}}$ | = | $\left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\left(z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{4} + c \left(z_{4} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{4} \,\mathbf{\hat{y}}+c \left(z_{4} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Ni III |
| $\mathbf{B_{15}}$ | = | $\left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}+\left(x_{5} + y_{5}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}+c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O I |
| $\mathbf{B_{16}}$ | = | $- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{1}- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{5} + c \left(z_{5} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{5} \,\mathbf{\hat{y}}- c \left(z_{5} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O I |
| $\mathbf{B_{17}}$ | = | $- \left(x_{5} - y_{5}\right) \, \mathbf{a}_{1}- \left(x_{5} + y_{5}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- \left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}- c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O I |
| $\mathbf{B_{18}}$ | = | $\left(x_{5} + y_{5}\right) \, \mathbf{a}_{1}+\left(x_{5} - y_{5}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{5} + c \left(z_{5} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{5} \,\mathbf{\hat{y}}+c \left(z_{5} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O I |
| $\mathbf{B_{19}}$ | = | $\left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} + y_{6}\right) \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}+c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O II |
| $\mathbf{B_{20}}$ | = | $- \left(x_{6} + y_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}- \left(z_{6} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{6} + c \left(z_{6} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{6} \,\mathbf{\hat{y}}- c \left(z_{6} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O II |
| $\mathbf{B_{21}}$ | = | $- \left(x_{6} - y_{6}\right) \, \mathbf{a}_{1}- \left(x_{6} + y_{6}\right) \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- \left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}- c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O II |
| $\mathbf{B_{22}}$ | = | $\left(x_{6} + y_{6}\right) \, \mathbf{a}_{1}+\left(x_{6} - y_{6}\right) \, \mathbf{a}_{2}+\left(z_{6} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{6} + c \left(z_{6} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{6} \,\mathbf{\hat{y}}+c \left(z_{6} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O II |
| $\mathbf{B_{23}}$ | = | $\left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} + y_{7}\right) \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}+c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O III |
| $\mathbf{B_{24}}$ | = | $- \left(x_{7} + y_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}- \left(z_{7} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{7} + c \left(z_{7} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{7} \,\mathbf{\hat{y}}- c \left(z_{7} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O III |
| $\mathbf{B_{25}}$ | = | $- \left(x_{7} - y_{7}\right) \, \mathbf{a}_{1}- \left(x_{7} + y_{7}\right) \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $- \left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}- c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O III |
| $\mathbf{B_{26}}$ | = | $\left(x_{7} + y_{7}\right) \, \mathbf{a}_{1}+\left(x_{7} - y_{7}\right) \, \mathbf{a}_{2}+\left(z_{7} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{7} + c \left(z_{7} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{7} \,\mathbf{\hat{y}}+c \left(z_{7} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O III |
| $\mathbf{B_{27}}$ | = | $\left(x_{8} - y_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} + y_{8}\right) \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $\left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}+c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O IV |
| $\mathbf{B_{28}}$ | = | $- \left(x_{8} + y_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} - y_{8}\right) \, \mathbf{a}_{2}- \left(z_{8} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{8} + c \left(z_{8} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{8} \,\mathbf{\hat{y}}- c \left(z_{8} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O IV |
| $\mathbf{B_{29}}$ | = | $- \left(x_{8} - y_{8}\right) \, \mathbf{a}_{1}- \left(x_{8} + y_{8}\right) \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $- \left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}- c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O IV |
| $\mathbf{B_{30}}$ | = | $\left(x_{8} + y_{8}\right) \, \mathbf{a}_{1}+\left(x_{8} - y_{8}\right) \, \mathbf{a}_{2}+\left(z_{8} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{8} + c \left(z_{8} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{8} \,\mathbf{\hat{y}}+c \left(z_{8} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O IV |
| $\mathbf{B_{31}}$ | = | $\left(x_{9} - y_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} + y_{9}\right) \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $\left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}+c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O V |
| $\mathbf{B_{32}}$ | = | $- \left(x_{9} + y_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} - y_{9}\right) \, \mathbf{a}_{2}- \left(z_{9} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{9} + c \left(z_{9} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{9} \,\mathbf{\hat{y}}- c \left(z_{9} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O V |
| $\mathbf{B_{33}}$ | = | $- \left(x_{9} - y_{9}\right) \, \mathbf{a}_{1}- \left(x_{9} + y_{9}\right) \, \mathbf{a}_{2}- z_{9} \, \mathbf{a}_{3}$ | = | $- \left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}- c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O V |
| $\mathbf{B_{34}}$ | = | $\left(x_{9} + y_{9}\right) \, \mathbf{a}_{1}+\left(x_{9} - y_{9}\right) \, \mathbf{a}_{2}+\left(z_{9} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{9} + c \left(z_{9} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{9} \,\mathbf{\hat{y}}+c \left(z_{9} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O V |
| $\mathbf{B_{35}}$ | = | $\left(x_{10} - y_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} + y_{10}\right) \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $\left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}+c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O VI |
| $\mathbf{B_{36}}$ | = | $- \left(x_{10} + y_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} - y_{10}\right) \, \mathbf{a}_{2}- \left(z_{10} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{10} + c \left(z_{10} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{10} \,\mathbf{\hat{y}}- c \left(z_{10} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O VI |
| $\mathbf{B_{37}}$ | = | $- \left(x_{10} - y_{10}\right) \, \mathbf{a}_{1}- \left(x_{10} + y_{10}\right) \, \mathbf{a}_{2}- z_{10} \, \mathbf{a}_{3}$ | = | $- \left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}- c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O VI |
| $\mathbf{B_{38}}$ | = | $\left(x_{10} + y_{10}\right) \, \mathbf{a}_{1}+\left(x_{10} - y_{10}\right) \, \mathbf{a}_{2}+\left(z_{10} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{10} + c \left(z_{10} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{10} \,\mathbf{\hat{y}}+c \left(z_{10} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | O VI |
| $\mathbf{B_{39}}$ | = | $\left(x_{11} - y_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} + y_{11}\right) \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $\left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}+c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te I |
| $\mathbf{B_{40}}$ | = | $- \left(x_{11} + y_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} - y_{11}\right) \, \mathbf{a}_{2}- \left(z_{11} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{11} + c \left(z_{11} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{11} \,\mathbf{\hat{y}}- c \left(z_{11} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te I |
| $\mathbf{B_{41}}$ | = | $- \left(x_{11} - y_{11}\right) \, \mathbf{a}_{1}- \left(x_{11} + y_{11}\right) \, \mathbf{a}_{2}- z_{11} \, \mathbf{a}_{3}$ | = | $- \left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}- c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te I |
| $\mathbf{B_{42}}$ | = | $\left(x_{11} + y_{11}\right) \, \mathbf{a}_{1}+\left(x_{11} - y_{11}\right) \, \mathbf{a}_{2}+\left(z_{11} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{11} + c \left(z_{11} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{11} \,\mathbf{\hat{y}}+c \left(z_{11} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te I |
| $\mathbf{B_{43}}$ | = | $\left(x_{12} - y_{12}\right) \, \mathbf{a}_{1}+\left(x_{12} + y_{12}\right) \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $\left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{12} \,\mathbf{\hat{y}}+c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te II |
| $\mathbf{B_{44}}$ | = | $- \left(x_{12} + y_{12}\right) \, \mathbf{a}_{1}- \left(x_{12} - y_{12}\right) \, \mathbf{a}_{2}- \left(z_{12} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- \left(a x_{12} + c \left(z_{12} - \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}+b y_{12} \,\mathbf{\hat{y}}- c \left(z_{12} - \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te II |
| $\mathbf{B_{45}}$ | = | $- \left(x_{12} - y_{12}\right) \, \mathbf{a}_{1}- \left(x_{12} + y_{12}\right) \, \mathbf{a}_{2}- z_{12} \, \mathbf{a}_{3}$ | = | $- \left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{12} \,\mathbf{\hat{y}}- c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te II |
| $\mathbf{B_{46}}$ | = | $\left(x_{12} + y_{12}\right) \, \mathbf{a}_{1}+\left(x_{12} - y_{12}\right) \, \mathbf{a}_{2}+\left(z_{12} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\left(a x_{12} + c \left(z_{12} + \frac{1}{2}\right) \cos{\beta}\right) \,\mathbf{\hat{x}}- b y_{12} \,\mathbf{\hat{y}}+c \left(z_{12} + \frac{1}{2}\right) \sin{\beta} \,\mathbf{\hat{z}}$ | (8f) | Te II |
References
- M. Johnsson, K. W. Törnroos, P. Lemmens, and P. Millet, Crystal Structure and Magnetic Properties of a New Two-Dimensional S = 1 Quantum Spin System Ni$_{5}$(TeO$_{3}$)$_{4}$X$_{2}$ (X = Cl, Br), Chem. Mater. 15, 68–73 (2003), doi:10.1016/j.solidstatesciences.2006.11.019.
Found in
- R. Becker, M. Prester, H. Berger, M. Johnsson, D. Drobac, and I. Zivkovic, Crystal structure and magnetic properties of the new cobalt tellurite halide Co$_{5}$(TeO$_{3}$)$_{4}$X$_{2}$ (X = Cl, Br), Solid State Sci. 9, 223–230 (2007), doi:10.1016/j.solidstatesciences.2006.11.019.
First cited in
- N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).
Geometry files
Prototype Generator
aflow --proto=A2B5C12D4_mC92_15_f_e2f_6f_2f --params=$a,b/a,c/a,\beta,y_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4},x_{5},y_{5},z_{5},x_{6},y_{6},z_{6},x_{7},y_{7},z_{7},x_{8},y_{8},z_{8},x_{9},y_{9},z_{9},x_{10},y_{10},z_{10},x_{11},y_{11},z_{11},x_{12},y_{12},z_{12}$