BaPtSb Structure: ABC_hP3_187_b_c_e-001
| Prototype | BaPtSb |
| AFLOW prototype label | ABC_hP3_187_b_c_e-001 |
| ICSD | 59186 |
| CCDC | 1623052 |
| Pearson symbol | hP3 |
| Space group number | 187 |
| Space group symbol | $P\overline{6}m2$ |
| AFLOW prototype command |
aflow --proto=ABC_hP3_187_b_c_e-001
--params=$a, \allowbreak c/a$ |
Other compounds with this structure
AlBaGe, AlBaLi, AlBaSi, AlCaSi, AlGeSi, AlGeSr, AlSiSr, AsBaPd, AsBaPt, AsCeNi, AsKZn, AsNiSm, AuSiTh, AuSiU, BaLiP, BaLiSi, BaPtSb, CuGeU, DyPPt, EuGeZn, GdPPt, HCeTe, HErTe, HHoSe, KSbZn, LiPSr, LuPPt, PPtSm, PPtTb, PPtTm, PPtY, PPtYb, PtSbSr
- If the atoms on the (1c) and (1e) sites are identical this becomes the hexagonal $\omega$ ($C32$) structure.
- The ICSD designates BaLiSb as the prototype for this structure.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (1b) | Ba I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}$ | (1c) | Pt 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) | Sb I |
References
- G. Wenski and A. Mewis, Trigonal-planar koordiniertes Platin: Darstellung und Struktur von SrPtAs (Sb), BaPtP (As, Sb), SrPt$_x$P$_{2-x}$, SrPt$_x$As$_{0.90}$ und BaPt$_x$As$_{0.90}$, Z. Anorganische und Allgemeine Chemie 535, 110–122 (1986), doi:10.1002/zaac.19865350413.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
First cited in
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
Geometry files
Prototype Generator
aflow --proto=ABC_hP3_187_b_c_e --params=$a,c/a$