CaCu$_{5}$ ($D2_{d}$) Structure: AB5_hP6_191_a_cg-001
Other compounds with this structure
BaAg$_{5}$, BaAu$_{5}$, BaPt$_{5}$, CaNi$_{5}$, CaPt$_{5}$, CaZn$_{5}$, CeCo$_{5}$, CeCu$_{5}$, CeFe$_{5}$, CeNi$_{5}$, CePt$_{5}$, CeZn$_{5}$, DyCo$_{5}$, DyFe$_{5}$, DyNi$_{5}$, ErCo$_{5}$, ErNi$_{5}$, GdCo$_{5}$, GdCu$_{5}$, GdFe$_{5}$, GdNi$_{5}$, HfBe$_{5}$, HoCo$_{5}$, HoCu$_{5}$, HoNi$_{5}$, KAu$_{5}$, LaCo$_{5}$, LaCu$_{5}$, LaNi$_{5}$, LaPt$_{5}$, LaZn$_{5}$, NdCo$_{5}$, NdCu$_{5}$, NdNi$_{5}$, NdPt$_{5}$, PrCo$_{5}$, PrCu$_{5}$, PrNi$_{5}$, PrPt$_{5}$, PrSr$_{5}$, PuNi$_{5}$, RbAu$_{5}$, ScBe$_{5}$, SmCo$_{5}$, SmCu$_{5}$, SmFe$_{5}$, SmNi$_{5}$, SrAg$_{5}$, SrAu$_{5}$, SrPd$_{5}$, TbCo$_{5}$, TbCu$_{5}$, TbNi$_{5}$, ThCo$_{5}$, ThFe$_{5}$, ThNi$_{5}$, YCo$_{5}$, YCu$_{5}$, YFe$_{5}$, YNi$_{5}$
- The original version of this page inadvertantly used the lattice constants for CaZn$_{5}$ (a = 5.405Å, c = 4.183Å) rather than those for CaCu$_{5}$ (a = 5.082Å, c = 4.078Å). This has now been corrected.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Ca I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{3} \, \mathbf{a}_{1}+\frac{2}{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}$ | (2c) | Cu I |
| $\mathbf{B_{3}}$ | = | $\frac{2}{3} \, \mathbf{a}_{1}+\frac{1}{3} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{6}a \,\mathbf{\hat{y}}$ | (2c) | Cu I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Cu II |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Cu II |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3g) | Cu II |
References
- W. Haucke, Kristallstruktur von CaZn$_5$ und CaCu$_5$, Z. Anorganische und Allgemeine Chemie 244, 17–22 (1940), doi:10.1002/zaac.19402440103.
Found in
- W. B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys (Wiley Interscience, New York, London, Sydney, Tornoto, 1972).
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=AB5_hP6_191_a_cg --params=$a,c/a$