GaSb (II) Structure: AB_tI4_119_c_a-001
| Prototype | GaSb |
| AFLOW prototype label | AB_tI4_119_c_a-001 |
| Pearson symbol | tI4 |
| Space group number | 119 |
| Space group symbol | $I\overline{4}m2$ |
| AFLOW prototype command |
aflow --proto=AB_tI4_119_c_a-001
--params=$a, \allowbreak c/a$ |
- This is the high-pressure phase of GaSb, stable above 60 kBar. The ground state of GaSb has the zincblende ($B3$) structure. This sample remained metastable after cooling to 90K and releasing the pressure.
- If the atomic species are identical this becomes the $\beta$–Sn ($A5$) structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ga I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}c \,\mathbf{\hat{z}}$ | (2c) | Sb I |
References
- T. R. R. McDonald, R. Sard, and E. Gregory, Retention of GaSb (II) at Low Temperatures and One Atmosphere Pressure, J. Appl. Phys. 36, 1498–1499 (2004), doi:10.1063/1.1714346.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
First cited in
- D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
Geometry files
Prototype Generator
aflow --proto=AB_tI4_119_a_c --params=$a,c/a$