Sb$_{2}$Tl$_{7}$ ($L2_{2}$) Structure: A2B7_cI54_229_e_afh-001
| Prototype | Sb$_{2}$Tl$_{7}$ |
| AFLOW prototype label | A2B7_cI54_229_e_afh-001 |
| Strukturbericht designation | $L2_{2}$ |
| ICSD | 41816 |
| Pearson symbol | cI54 |
| Space group number | 229 |
| Space group symbol | $Im\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=A2B7_cI54_229_e_afh-001
--params=$a, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak y_{4}$ |
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (2a) | Tl I |
| $\mathbf{B_{2}}$ | = | $x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}$ | (12e) | Sb I |
| $\mathbf{B_{3}}$ | = | $- x_{2} \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}$ | (12e) | Sb I |
| $\mathbf{B_{4}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{y}}$ | (12e) | Sb I |
| $\mathbf{B_{5}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{y}}$ | (12e) | Sb I |
| $\mathbf{B_{6}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}$ | = | $a x_{2} \,\mathbf{\hat{z}}$ | (12e) | Sb I |
| $\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}$ | = | $- a x_{2} \,\mathbf{\hat{z}}$ | (12e) | Sb I |
| $\mathbf{B_{8}}$ | = | $2 x_{3} \, \mathbf{a}_{1}+2 x_{3} \, \mathbf{a}_{2}+2 x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{9}}$ | = | $- 2 x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{10}}$ | = | $- 2 x_{3} \, \mathbf{a}_{2}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{11}}$ | = | $- 2 x_{3} \, \mathbf{a}_{1}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{12}}$ | = | $2 x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{13}}$ | = | $- 2 x_{3} \, \mathbf{a}_{1}- 2 x_{3} \, \mathbf{a}_{2}- 2 x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{14}}$ | = | $2 x_{3} \, \mathbf{a}_{2}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{15}}$ | = | $2 x_{3} \, \mathbf{a}_{1}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (16f) | Tl II |
| $\mathbf{B_{16}}$ | = | $2 y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{17}}$ | = | $y_{4} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{18}}$ | = | $- y_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{19}}$ | = | $- 2 y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{20}}$ | = | $y_{4} \, \mathbf{a}_{1}+2 y_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{21}}$ | = | $- y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{22}}$ | = | $y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{23}}$ | = | $- y_{4} \, \mathbf{a}_{1}- 2 y_{4} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{z}}$ | (24h) | Tl III |
| $\mathbf{B_{24}}$ | = | $y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}+2 y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}$ | (24h) | Tl III |
| $\mathbf{B_{25}}$ | = | $y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}$ | (24h) | Tl III |
| $\mathbf{B_{26}}$ | = | $- y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}$ | (24h) | Tl III |
| $\mathbf{B_{27}}$ | = | $- y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}- 2 y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}$ | (24h) | Tl III |
References
- R. Stokhuyzen, C. Chieh, and W. B. Pearson, Crystal Structure of Sb$_2$Tl$_7$, Can. J. Chem. 55, 1120–1122 (1977), doi:10.1139/v77-157.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn.
Prototype Generator
aflow --proto=A2B7_cI54_229_e_afh --params=$a,x_{2},x_{3},y_{4}$