β-K$_{2}$Bi$_{8}$Se$_{13}$ Structure: A8B2C13_mP46_11_8e_2e_13e-001
| Prototype | Bi$_{8}$K$_{2}$Se$_{13}$ |
| AFLOW prototype label | A8B2C13_mP46_11_8e_2e_13e-001 |
| ICSD | 84268 |
| CCDC | 1644272 |
| Pearson symbol | mP46 |
| Space group number | 11 |
| Space group symbol | $P2_1/m$ |
| AFLOW prototype command |
aflow --proto=A8B2C13_mP46_11_8e_2e_13e-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak \beta, \allowbreak x_{1}, \allowbreak z_{1}, \allowbreak x_{2}, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak z_{5}, \allowbreak x_{6}, \allowbreak z_{6}, \allowbreak x_{7}, \allowbreak z_{7}, \allowbreak x_{8}, \allowbreak z_{8}, \allowbreak x_{9}, \allowbreak z_{9}, \allowbreak x_{10}, \allowbreak z_{10}, \allowbreak x_{11}, \allowbreak z_{11}, \allowbreak x_{12}, \allowbreak z_{12}, \allowbreak x_{13}, \allowbreak z_{13}, \allowbreak x_{14}, \allowbreak z_{14}, \allowbreak x_{15}, \allowbreak z_{15}, \allowbreak x_{16}, \allowbreak z_{16}, \allowbreak x_{17}, \allowbreak z_{17}, \allowbreak x_{18}, \allowbreak z_{18}, \allowbreak x_{19}, \allowbreak z_{19}, \allowbreak x_{20}, \allowbreak z_{20}, \allowbreak x_{21}, \allowbreak z_{21}, \allowbreak x_{22}, \allowbreak z_{22}, \allowbreak x_{23}, \allowbreak z_{23}$ |
Other compounds with this structure
Eu$_{4}$Bi$_{6}$Se$_{13}$, Sr$_{4}$Bi$_{6}$Se$_{13}$
- The Bi VIII site is actually 62% bismuth and 38% potassium, while the K I site is 62% potassium and 38% bismuth.
- K$_{2}$Bi$_{8}$Se$_{13}$ can also be found in the triclinic $\alpha$ phase, which has no compositional disorder.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \cos{\beta} \,\mathbf{\hat{x}}+c \sin{\beta} \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $x_{1} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{1} \, \mathbf{a}_{3}$ | = | $\left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi I |
| $\mathbf{B_{2}}$ | = | $- x_{1} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{1} \, \mathbf{a}_{3}$ | = | $- \left(a x_{1} + c z_{1} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{1} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi I |
| $\mathbf{B_{3}}$ | = | $x_{2} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi II |
| $\mathbf{B_{4}}$ | = | $- x_{2} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}$ | = | $- \left(a x_{2} + c z_{2} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{2} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi II |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi III |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $- \left(a x_{3} + c z_{3} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{3} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi III |
| $\mathbf{B_{7}}$ | = | $x_{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi IV |
| $\mathbf{B_{8}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \left(a x_{4} + c z_{4} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{4} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi IV |
| $\mathbf{B_{9}}$ | = | $x_{5} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi V |
| $\mathbf{B_{10}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- \left(a x_{5} + c z_{5} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{5} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi V |
| $\mathbf{B_{11}}$ | = | $x_{6} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi VI |
| $\mathbf{B_{12}}$ | = | $- x_{6} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $- \left(a x_{6} + c z_{6} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{6} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi VI |
| $\mathbf{B_{13}}$ | = | $x_{7} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi VII |
| $\mathbf{B_{14}}$ | = | $- x_{7} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $- \left(a x_{7} + c z_{7} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{7} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi VII |
| $\mathbf{B_{15}}$ | = | $x_{8} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{8} \, \mathbf{a}_{3}$ | = | $\left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi VIII |
| $\mathbf{B_{16}}$ | = | $- x_{8} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{8} \, \mathbf{a}_{3}$ | = | $- \left(a x_{8} + c z_{8} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{8} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Bi VIII |
| $\mathbf{B_{17}}$ | = | $x_{9} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{9} \, \mathbf{a}_{3}$ | = | $\left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | K I |
| $\mathbf{B_{18}}$ | = | $- x_{9} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{9} \, \mathbf{a}_{3}$ | = | $- \left(a x_{9} + c z_{9} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{9} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | K I |
| $\mathbf{B_{19}}$ | = | $x_{10} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{10} \, \mathbf{a}_{3}$ | = | $\left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | K II |
| $\mathbf{B_{20}}$ | = | $- x_{10} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{10} \, \mathbf{a}_{3}$ | = | $- \left(a x_{10} + c z_{10} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{10} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | K II |
| $\mathbf{B_{21}}$ | = | $x_{11} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{11} \, \mathbf{a}_{3}$ | = | $\left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se I |
| $\mathbf{B_{22}}$ | = | $- x_{11} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{11} \, \mathbf{a}_{3}$ | = | $- \left(a x_{11} + c z_{11} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{11} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se I |
| $\mathbf{B_{23}}$ | = | $x_{12} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{12} \, \mathbf{a}_{3}$ | = | $\left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se II |
| $\mathbf{B_{24}}$ | = | $- x_{12} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{12} \, \mathbf{a}_{3}$ | = | $- \left(a x_{12} + c z_{12} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{12} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se II |
| $\mathbf{B_{25}}$ | = | $x_{13} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{13} \, \mathbf{a}_{3}$ | = | $\left(a x_{13} + c z_{13} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{13} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se III |
| $\mathbf{B_{26}}$ | = | $- x_{13} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{13} \, \mathbf{a}_{3}$ | = | $- \left(a x_{13} + c z_{13} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{13} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se III |
| $\mathbf{B_{27}}$ | = | $x_{14} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{14} \, \mathbf{a}_{3}$ | = | $\left(a x_{14} + c z_{14} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{14} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se IV |
| $\mathbf{B_{28}}$ | = | $- x_{14} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{14} \, \mathbf{a}_{3}$ | = | $- \left(a x_{14} + c z_{14} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{14} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se IV |
| $\mathbf{B_{29}}$ | = | $x_{15} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{15} \, \mathbf{a}_{3}$ | = | $\left(a x_{15} + c z_{15} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{15} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se V |
| $\mathbf{B_{30}}$ | = | $- x_{15} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{15} \, \mathbf{a}_{3}$ | = | $- \left(a x_{15} + c z_{15} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{15} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se V |
| $\mathbf{B_{31}}$ | = | $x_{16} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{16} \, \mathbf{a}_{3}$ | = | $\left(a x_{16} + c z_{16} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{16} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se VI |
| $\mathbf{B_{32}}$ | = | $- x_{16} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{16} \, \mathbf{a}_{3}$ | = | $- \left(a x_{16} + c z_{16} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{16} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se VI |
| $\mathbf{B_{33}}$ | = | $x_{17} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{17} \, \mathbf{a}_{3}$ | = | $\left(a x_{17} + c z_{17} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{17} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se VII |
| $\mathbf{B_{34}}$ | = | $- x_{17} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{17} \, \mathbf{a}_{3}$ | = | $- \left(a x_{17} + c z_{17} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{17} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se VII |
| $\mathbf{B_{35}}$ | = | $x_{18} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{18} \, \mathbf{a}_{3}$ | = | $\left(a x_{18} + c z_{18} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{18} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se VIII |
| $\mathbf{B_{36}}$ | = | $- x_{18} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{18} \, \mathbf{a}_{3}$ | = | $- \left(a x_{18} + c z_{18} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{18} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se VIII |
| $\mathbf{B_{37}}$ | = | $x_{19} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{19} \, \mathbf{a}_{3}$ | = | $\left(a x_{19} + c z_{19} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{19} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se IX |
| $\mathbf{B_{38}}$ | = | $- x_{19} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{19} \, \mathbf{a}_{3}$ | = | $- \left(a x_{19} + c z_{19} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{19} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se IX |
| $\mathbf{B_{39}}$ | = | $x_{20} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{20} \, \mathbf{a}_{3}$ | = | $\left(a x_{20} + c z_{20} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{20} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se X |
| $\mathbf{B_{40}}$ | = | $- x_{20} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{20} \, \mathbf{a}_{3}$ | = | $- \left(a x_{20} + c z_{20} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{20} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se X |
| $\mathbf{B_{41}}$ | = | $x_{21} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{21} \, \mathbf{a}_{3}$ | = | $\left(a x_{21} + c z_{21} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{21} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se XI |
| $\mathbf{B_{42}}$ | = | $- x_{21} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{21} \, \mathbf{a}_{3}$ | = | $- \left(a x_{21} + c z_{21} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{21} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se XI |
| $\mathbf{B_{43}}$ | = | $x_{22} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{22} \, \mathbf{a}_{3}$ | = | $\left(a x_{22} + c z_{22} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{22} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se XII |
| $\mathbf{B_{44}}$ | = | $- x_{22} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{22} \, \mathbf{a}_{3}$ | = | $- \left(a x_{22} + c z_{22} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{22} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se XII |
| $\mathbf{B_{45}}$ | = | $x_{23} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{23} \, \mathbf{a}_{3}$ | = | $\left(a x_{23} + c z_{23} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{1}{4}b \,\mathbf{\hat{y}}+c z_{23} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se XIII |
| $\mathbf{B_{46}}$ | = | $- x_{23} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{23} \, \mathbf{a}_{3}$ | = | $- \left(a x_{23} + c z_{23} \cos{\beta}\right) \,\mathbf{\hat{x}}+\frac{3}{4}b \,\mathbf{\hat{y}}- c z_{23} \sin{\beta} \,\mathbf{\hat{z}}$ | (2e) | Se XIII |
References
- D.-Y. Chung, K.-S. Choi, L. Iordanidis, J. L. Schindler, P. W. Brazis, C. R. Kannewurf, B. Chen, S. Hu, C. Uher, and M. G. Kanatzidis, High Thermopower and Low Thermal Conductivity in Semiconducting Ternary K-Bi-Se Compounds. Synthesis and Properties of β-K$_{2}$Bi$_{8}$Se$_{13}$ and K$_{2.5}$Bi$_{8.5}$Se$_{14}$ and Their Sb Analogues, Chem. Mater. 9, 3060–3067 (1997), doi:10.1021/cm970397e.
Found in
- D. I. Bilc, S. D. Mahanti, T. Kyratsi, D. Y. Chung, M. G. Kanatzidis, , and P. Larson, Electronic structure of K$_{2}$Bi$_{8}$Se$_{13}$, Phys. Rev. B 71, 085116 (2005), doi:10.1103/PhysRevB.71.085116.
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=A8B2C13_mP46_11_8e_2e_13e --params=$a,b/a,c/a,\beta,x_{1},z_{1},x_{2},z_{2},x_{3},z_{3},x_{4},z_{4},x_{5},z_{5},x_{6},z_{6},x_{7},z_{7},x_{8},z_{8},x_{9},z_{9},x_{10},z_{10},x_{11},z_{11},x_{12},z_{12},x_{13},z_{13},x_{14},z_{14},x_{15},z_{15},x_{16},z_{16},x_{17},z_{17},x_{18},z_{18},x_{19},z_{19},x_{20},z_{20},x_{21},z_{21},x_{22},z_{22},x_{23},z_{23}$