High-pressure CdTe Structure: AB_oP2_25_a_b-001
| Prototype | CdTe |
| AFLOW prototype label | AB_oP2_25_a_b-001 |
| ICSD | 108237 |
| Pearson symbol | oP2 |
| Space group number | 25 |
| Space group symbol | $Pmm2$ |
| AFLOW prototype command |
aflow --proto=AB_oP2_25_a_b-001
--params=$a, \allowbreak b/a, \allowbreak c/a, \allowbreak z_{1}, \allowbreak z_{2}$ |
Other compounds with this structure
GaAs (HP)
- This is a high-pressure phase of CdTe. We use the data given for a pressure of 19.3 GPa.
- Space group $Pmm2$ #25 allows are arbritary origin in the $z$-direction. Here we chose it to put the tellurium atom at the origin.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&b \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $z_{1} \, \mathbf{a}_{3}$ | = | $c z_{1} \,\mathbf{\hat{z}}$ | (1a) | Cd I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+z_{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}b \,\mathbf{\hat{y}}+c z_{2} \,\mathbf{\hat{z}}$ | (1b) | Te I |
References
- J. Z. Hu, A New High Pressure Phase of CdTe, Solid State Commun. 63, 471–474 (1987), doi:10.1016/0038-1098(87)90273-0.
Prototype Generator
aflow --proto=AB_oP2_25_a_b --params=$a,b/a,c/a,z_{1},z_{2}$