LaOAgS Structure: ABCD_tP8_129_b_c_a_c-001
| Prototype | AgLaOS |
| AFLOW prototype label | ABCD_tP8_129_b_c_a_c-001 |
| ICSD | 15530 |
| Pearson symbol | tP8 |
| Space group number | 129 |
| Space group symbol | $P4/nmm$ |
| AFLOW prototype command |
aflow --proto=ABCD_tP8_129_b_c_a_c-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}, \allowbreak z_{4}$ |
Other compounds with this structure
BaCuSeF, BiCuSeO, BiCuTeO, CeAgSeO, CeCoGeH, CeCoSiH, CeCuSeO, CeCuTeO, CeFeGeH, CeFeSiH, CeMnGeH, CeMnSiH, CeRuSiH, DyCuSeO, ErCuSeO, EuCuSeO, GdCuSeO, HoCuSeO, LaAgSO, LaAgSeO, LaAgTeO, LaCuTeO, LaRuSiH, LaiCuSeO, NdAgSeO, NdCuSeO, NdCuTeO, NdFeAsO, PrAgSeO, PrCuSeO, PrCuTeO, SmCuSeF, SmCuSeO, TbCuSeO, YCuSeO
- This structure has the same space group and Wyckoff positions as AsCuSiZr, but there is a substantial difference in the $c/a$ ratio leading to different bonding between the layers.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ | (2a) | O I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}$ | (2a) | O I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Ag I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Ag I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (2c) | La I |
| $\mathbf{B_{6}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{3} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- c z_{3} \,\mathbf{\hat{z}}$ | (2c) | La I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+z_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+c z_{4} \,\mathbf{\hat{z}}$ | (2c) | S I |
| $\mathbf{B_{8}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- z_{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (2c) | S I |
References
- M. Palazzi and S. Jaulmes, Structure du Conducteur Ionique (LaO)AgS, Acta Crystallogr. Sect. B 37, 1337–1339 (1981), doi:10.1107/S0567740881005876.
Found in
- W. Suski and T. Palewski, Pnictides and Chalcogenides II (Springer-Verlag, Berlin,Heidelberg, 2003), vol. 27B5, chap. LaOAgS, doi:10.1007/10713485_89.
Prototype Generator
aflow --proto=ABCD_tP8_129_b_c_a_c --params=$a,c/a,z_{3},z_{4}$