LiCo$_{6}$P$_{4}$ Structure: A6BC4_hP11_187_jk_a_ck-001
| Prototype | Co$_{6}$LiP$_{4}$ |
| AFLOW prototype label | A6BC4_hP11_187_jk_a_ck-001 |
| ICSD | 69692 |
| Pearson symbol | hP11 |
| Space group number | 187 |
| Space group symbol | $P\overline{6}m2$ |
| AFLOW prototype command |
aflow --proto=A6BC4_hP11_187_jk_a_ck-001
--params=$a, \allowbreak c/a, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak x_{5}$ |
Other compounds with this structure
CeCo$_{6}$P$_{4}$, CeRh$_{6}$Ge$_{4}$, CeRh$_{6}$Ge$_{4}$, DyCo$_{6}$P$_{4}$, DyRh$_{6}$Ge$_{4}$, ErCo$_{6}$P$_{4}$, ErRh$_{6}$Ge$_{4}$, EuCo$_{6}$P$_{4}$, EuRh$_{6}$Ge$_{4}$, GdCo$_{6}$P$_{4}$, GdRh$_{6}$Ge$_{4}$, HoCo$_{6}$P$_{4}$, HoRh$_{6}$Ge$_{4}$, LaCo$_{6}$P$_{4}$, LaRh$_{6}$Ge$_{4}$, LuCo$_{6}$P$_{4}$, LuRh$_{6}$Ge$_{4}$, LuRh$_{6}$P$_{4}$, NdCo$_{6}$P$_{4}$, NdRh$_{6}$Ge$_{4}$, PrCo$_{6}$P$_{4}$, PrRh$_{6}$Ge$_{4}$, ScRh$_{6}$P$_{4}$, SmCo$_{6}$P$_{4}$, SmRh$_{6}$Ge$_{4}$, TbCo$_{6}$P$_{4}$, TbRh$_{6}$Ge$_{4}$, TmCo$_{6}$P$_{4}$, TmRh$_{6}$Ge$_{4}$, YCo$_{6}$P$_{4}$, YRh$_{6}$Ge$_{4}$, YRh$_{6}$P$_{4}$, YbCo$_{6}$P$_{4}$, YbRh$_{6}$Ge$_{4}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Li 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) | P I |
| $\mathbf{B_{3}}$ | = | $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- \sqrt{3}a x_{3} \,\mathbf{\hat{y}}$ | (3j) | Co I |
| $\mathbf{B_{4}}$ | = | $x_{3} \, \mathbf{a}_{1}+2 x_{3} \, \mathbf{a}_{2}$ | = | $\frac{3}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}$ | (3j) | Co I |
| $\mathbf{B_{5}}$ | = | $- 2 x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}$ | = | $- \frac{3}{2}a x_{3} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{3} \,\mathbf{\hat{y}}$ | (3j) | Co I |
| $\mathbf{B_{6}}$ | = | $x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \sqrt{3}a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3k) | Co II |
| $\mathbf{B_{7}}$ | = | $x_{4} \, \mathbf{a}_{1}+2 x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{3}{2}a x_{4} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3k) | Co II |
| $\mathbf{B_{8}}$ | = | $- 2 x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \frac{3}{2}a x_{4} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{4} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3k) | Co II |
| $\mathbf{B_{9}}$ | = | $x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \sqrt{3}a x_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3k) | P II |
| $\mathbf{B_{10}}$ | = | $x_{5} \, \mathbf{a}_{1}+2 x_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{3}{2}a x_{5} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3k) | P II |
| $\mathbf{B_{11}}$ | = | $- 2 x_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- \frac{3}{2}a x_{5} \,\mathbf{\hat{x}}+\frac{\sqrt{3}}{2}a x_{5} \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}$ | (3k) | P II |
References
- R. Buschmann and H.-U. Schuster, Darstellung und Kristallstruktur der Verbindung LiCo$_{6}$P$_{4}$, Z. Naturforsch. B 46, 699–701 (1991), doi:10.1515/znb-1991-0525.
Found in
- S. F. Matar, A. Al-Alam, N. Ouaini, and R. Pöttgen, Ab initio investigations of the electronic structures and chemical bonding in LiCo$_{6}$P$_{4}$ and Li$_{2}$Co$_{12}$P$_{7}$, J. Solid State Chem. 202, 227–233 (2013), doi:10.1016/j.jssc.2013.03.032.
Prototype Generator
aflow --proto=A6BC4_hP11_187_jk_a_ck --params=$a,c/a,x_{3},x_{4},x_{5}$