PbMnTeO$_{6}$ Structure: AB6CD_hP9_149_a_l_d_e-001
| Prototype | MnO$_{6}$PbTe |
| AFLOW prototype label | AB6CD_hP9_149_a_l_d_e-001 |
| ICSD | 5923 |
| Pearson symbol | hP9 |
| Space group number | 149 |
| Space group symbol | $P312$ |
| AFLOW prototype command |
aflow --proto=AB6CD_hP9_149_a_l_d_e-001
--params=$a, \allowbreak c/a, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}$ |
Other compounds with this structure
BaGeTeO$_{6}$, NaNiIO$_{6}$, PbGeTeO$_{6}$, SrGeTeO$_{6}$, SrMnTeO$_{6}$
- In the sample studied by (Kuchugura, 2019) the site we have labeled
Mn (1f)
is actually 90.6% manganese and 9.4% tellurium, while theTe (1d)
site is 90.6% tellurium and 9.4% manganese. - The mineral kuranakhite (Xinchun, 1998) also has this composition. While it was tentatively indexed as a body-centered orthorhombic structure, its lattice constants are very close to the trigonal structure described here, indicating that this may be the structure of kuranakhite.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Mn I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1d) | Pb I |
| $\mathbf{B_{3}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}$ | (1e) | Te I |
| $\mathbf{B_{4}}$ | = | $x_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (6l) | O I |
| $\mathbf{B_{5}}$ | = | $- y_{4} \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(x_{4} - 2 y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (6l) | O I |
| $\mathbf{B_{6}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (6l) | O I |
| $\mathbf{B_{7}}$ | = | $- y_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $- \frac{1}{2}a \left(x_{4} + y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \left(x_{4} - y_{4}\right) \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (6l) | O I |
| $\mathbf{B_{8}}$ | = | $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(- x_{4} + 2 y_{4}\right) \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (6l) | O I |
| $\mathbf{B_{9}}$ | = | $x_{4} \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \left(2 x_{4} - y_{4}\right) \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a y_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (6l) | O I |
References
- M. D. Kuchugura, A. I. Kurbakov, E. A. Zvereva, T. M. Vasilchikova, G. V. Raganyan, A. N. Vasiliev, V. A. Barchukf, and V. B. Nalbandyan, PbMnTeO$_{6}$: a chiral quasi 2D magnet with all cations in octahedral coordination and the space group problem of trigonal layered A$^{2+}$M$^{4+}$TeO$^{6}$, Dalton Trans. 48, 17070–17077 (2019), doi:10.1039/c9dt03154e.
- Z. Xinchun, L. Liang, W. Shizhong, W. Yan, Y. Jiankun, G. Nenglin, L. Guanghui, and H. Jianmin, Kuranakhite discovered in China for the first time, Chinese J. Geochem. 17, 77–80 (1998), doi:10.1007/BF02834625.
Prototype Generator
aflow --proto=AB6CD_hP9_149_a_l_d_e --params=$a,c/a,x_{4},y_{4},z_{4}$