MnBi$_{4}$Te$_{7}$ Structure: A4BC7_hP12_164_2d_a_bc2d-001
| Prototype | Bi$_{4}$MnTe$_{7}$ |
| AFLOW prototype label | A4BC7_hP12_164_2d_a_bc2d-001 |
| ICSD | 37567 |
| Pearson symbol | hP12 |
| Space group number | 164 |
| Space group symbol | $P\overline{3}m1$ |
| AFLOW prototype command |
aflow --proto=A4BC7_hP12_164_2d_a_bc2d-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}, \allowbreak z_{4}, \allowbreak z_{5}, \allowbreak z_{6}, \allowbreak z_{7}$ |
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Mn I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1b) | Te I |
| $\mathbf{B_{3}}$ | = | $z_{3} \, \mathbf{a}_{3}$ | = | $c z_{3} \,\mathbf{\hat{z}}$ | (2c) | Te II |
| $\mathbf{B_{4}}$ | = | $- z_{3} \, \mathbf{a}_{3}$ | = | $- c z_{3} \,\mathbf{\hat{z}}$ | (2c) | Te II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (2d) | Bi I |
| $\mathbf{B_{6}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (2d) | Bi I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{5} \,\mathbf{\hat{z}}$ | (2d) | Bi II |
| $\mathbf{B_{8}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ | (2d) | Bi II |
| $\mathbf{B_{9}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{6} \,\mathbf{\hat{z}}$ | (2d) | Te III |
| $\mathbf{B_{10}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{6} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{6} \,\mathbf{\hat{z}}$ | (2d) | Te III |
| $\mathbf{B_{11}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}+z_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}+c z_{7} \,\mathbf{\hat{z}}$ | (2d) | Te IV |
| $\mathbf{B_{12}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}- z_{7} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}- c z_{7} \,\mathbf{\hat{z}}$ | (2d) | Te IV |
References
- Z. S. Alieva, I. R. Amiraslanov, D. I. Nasonova, A. V.Shevelkov, N. A. Abdullayev, Z. A. Jahangirli, E. N. Orujlu, M. M. Otrokov, N. T. Mamedov, M. B. Babanly, and E. V.Chulkov, Novel ternary layered manganese bismuth tellurides of the MnTe-Bi$_{2}$Te$_{3}$ system: Synthesis and crystal structure, J. Alloys Compd. 789, 443–450 (2019), doi:10.1016/j.jallcom.2019.03.030.
Found in
- J.-Q. Yan, Y. H. Liu, D. S. Parker, Y. Wu, A. A. Aczel, M. Matsuda, M. A. McGuire, and B. C. Sales, A-type antiferromagnetic order in MnBi$_{4}$Te$_{7}$ and MnBi$_{6}$Te$_{10}$ single crystals, Phys. Rev. Materials 4, 054202 (2020), doi:10.1103/PhysRevMaterials.4.054202.
Prototype Generator
aflow --proto=A4BC7_hP12_164_2d_a_bc2d --params=$a,c/a,z_{3},z_{4},z_{5},z_{6},z_{7}$