RbGa$_{3}$ Structure: A3B_tI24_119_a2i_bf-001
| Prototype | Ga$_{3}$Rb |
| AFLOW prototype label | A3B_tI24_119_a2i_bf-001 |
| ICSD | 103943 |
| Pearson symbol | tI24 |
| Space group number | 119 |
| Space group symbol | $I\overline{4}m2$ |
| AFLOW prototype command |
aflow --proto=A3B_tI24_119_a2i_bf-001
--params=$a, \allowbreak c/a, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak z_{4}, \allowbreak x_{5}, \allowbreak z_{5}$ |
Other compounds with this structure
CsGa$_{3}$, KGa$_{3}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}c \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}c \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Ga I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}c \,\mathbf{\hat{z}}$ | (2b) | Rb I |
| $\mathbf{B_{3}}$ | = | $\left(z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{3} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+c z_{3} \,\mathbf{\hat{z}}$ | (4f) | Rb II |
| $\mathbf{B_{4}}$ | = | $- z_{3} \, \mathbf{a}_{1}- \left(z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- c z_{3} \,\mathbf{\hat{z}}$ | (4f) | Rb II |
| $\mathbf{B_{5}}$ | = | $z_{4} \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Ga II |
| $\mathbf{B_{6}}$ | = | $z_{4} \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Ga II |
| $\mathbf{B_{7}}$ | = | $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Ga II |
| $\mathbf{B_{8}}$ | = | $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- z_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{y}}- c z_{4} \,\mathbf{\hat{z}}$ | (8i) | Ga II |
| $\mathbf{B_{9}}$ | = | $z_{5} \, \mathbf{a}_{1}+\left(x_{5} + z_{5}\right) \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+c z_{5} \,\mathbf{\hat{z}}$ | (8i) | Ga III |
| $\mathbf{B_{10}}$ | = | $z_{5} \, \mathbf{a}_{1}- \left(x_{5} - z_{5}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+c z_{5} \,\mathbf{\hat{z}}$ | (8i) | Ga III |
| $\mathbf{B_{11}}$ | = | $- \left(x_{5} + z_{5}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ | (8i) | Ga III |
| $\mathbf{B_{12}}$ | = | $\left(x_{5} - z_{5}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{y}}- c z_{5} \,\mathbf{\hat{z}}$ | (8i) | Ga III |
References
- R. G. Ling and C. Berlin, Preparation and Crystal Structure Determination of the New Intermetallic Compound RbGa$_{3}$, Z. Anorganische und Allgemeine Chemie 480, 181–185 (1981), doi:10.1002/zaac.19814800923.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OK, 1991), vol. III, chap. , p. 3545.
Prototype Generator
aflow --proto=A3B_tI24_119_a2i_bf --params=$a,c/a,z_{3},x_{4},z_{4},x_{5},z_{5}$