Ir$_{3}$Ge$_{7}$ ($D8_{f}$) Structure: A7B3_cI40_229_df_e-001
| Prototype | Ge$_{7}$Ir$_{3}$ |
| AFLOW prototype label | A7B3_cI40_229_df_e-001 |
| Strukturbericht designation | $D8_{f}$ |
| ICSD | 408313 |
| Pearson symbol | cI40 |
| Space group number | 229 |
| Space group symbol | $Im\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=A7B3_cI40_229_df_e-001
--params=$a, \allowbreak x_{2}, \allowbreak x_{3}$ |
Other compounds with this structure
As$_{7}$Re$_{3}$, Ga$_{7}$Ni$_{3}$, Ga$_{7}$Pd$_{3}$, Ga$_{7}$Pt$_{3}$, In$_{7}$Pd$_{3}$, In$_{7}$Pt$_{3}$, Sb$_{7}$Mo$_{3}$, Sn$_{7}$Ir$_{3}$, Sn$_{7}$Os$_{3}$, Sn$_{7}$Ru$_{3}$
- Although (Haussermann, 1998) list the prototype for this structure as Ir$_{3}$Ge$_{7}$, that structure is not listed in the ICSD. We link to the similar Ni$_{3}$Ga$_{7}$ structure.
- The ICSD gives the prototype for this structure as Ru$_{3}$Sn$_{7}$.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12d) | Ge I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (12d) | Ge I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ | (12d) | Ge I |
| $\mathbf{B_{4}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12d) | Ge I |
| $\mathbf{B_{5}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12d) | Ge I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12d) | Ge I |
| $\mathbf{B_{7}}$ | = | $x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (12e) | Ir I |
| $\mathbf{B_{8}}$ | = | $- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (12e) | Ir I |
| $\mathbf{B_{9}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{y}}$ | (12e) | Ir I |
| $\mathbf{B_{10}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{y}}$ | (12e) | Ir I |
| $\mathbf{B_{11}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}$ | = | $a x_{2} \,\mathbf{\hat{z}}$ | (12e) | Ir I |
| $\mathbf{B_{12}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{z}}$ | (12e) | Ir I |
| $\mathbf{B_{13}}$ | = | $2 x_{3} \, \mathbf{a}_{1}+2 x_{3} \, \mathbf{a}_{2}+2 x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{14}}$ | = | $- 2 x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{15}}$ | = | $- 2 x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{16}}$ | = | $- 2 x_{3} \, \mathbf{a}_{1}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{17}}$ | = | $2 x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{18}}$ | = | $- 2 x_{3} \, \mathbf{a}_{1}- 2 x_{3} \, \mathbf{a}_{2}- 2 x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{19}}$ | = | $2 x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
| $\mathbf{B_{20}}$ | = | $2 x_{3} \, \mathbf{a}_{1}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Ge II |
References
- U. Häussermann, M. Elding-Pontén, C. Svensson, and S. Lidin, Compounds with the Ir$_{3}$Ge$_{7}$ Structure Type: Interpenetrating Frameworks with Flexible Bonding Properties, Chem. Euro. J. 4, 1007–1015 (1998), doi:10.1002/(SICI)1521-3765(19980615)4:6<1007::AID-CHEM1007>3.0.CO;2-7.
Found in
- F. Selim, J. P. Bevington, and G. S. Collins, Diffusion of $^{111}$Cd probes in Ga$_{7}$Pt$_{3}$ studied via nuclear quadrupole relaxation, Hyperf. Int. 178, 87–90 (2007), doi:10.1007/s10751-008-9663-3.
Prototype Generator
aflow --proto=A7B3_cI40_229_df_e --params=$a,x_{2},x_{3}$