BaHg$_{11}$ ($D2_{e}$) Structure: AB11_cP36_221_c_agij-001
| Prototype | BaHg$_{11}$ |
| AFLOW prototype label | AB11_cP36_221_c_agij-001 |
| Strukturbericht designation | $D2_{e}$ |
| ICSD | 58656 |
| Pearson symbol | cP36 |
| Space group number | 221 |
| Space group symbol | $Pm\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB11_cP36_221_c_agij-001
--params=$a, \allowbreak x_{3}, \allowbreak y_{4}, \allowbreak y_{5}$ |
Other compounds with this structure
CeCd$_{11}$, KHg$_{11}$, LaCd$_{11}$, NdCd$_{11}$, PrCd$_{11}$, PuCd$_{11}$, RbHg$_{11}$, SmCd$_{11}$, SrHg$_{11}$, Eu(Ag$_{x}$Au$_{11-x}$)
- (Pearson, 1972) state that this structure occurs in
a number of Hg and Cd phases with Group I or IIA metals or rare earths.
We lists those which we have found in the literature.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (1a) | Hg I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | Ba I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (3c) | Ba I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (3c) | Ba I |
| $\mathbf{B_{5}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{6}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{7}}$ | = | $- x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{8}}$ | = | $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{9}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{10}}$ | = | $- x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{11}}$ | = | $x_{3} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{12}}$ | = | $- x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (8g) | Hg II |
| $\mathbf{B_{13}}$ | = | $y_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{14}}$ | = | $- y_{4} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{15}}$ | = | $y_{4} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{16}}$ | = | $- y_{4} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{17}}$ | = | $y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{18}}$ | = | $y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{19}}$ | = | $- y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{20}}$ | = | $- y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{z}}$ | (12i) | Hg III |
| $\mathbf{B_{21}}$ | = | $y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}$ | = | $a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}$ | (12i) | Hg III |
| $\mathbf{B_{22}}$ | = | $- y_{4} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}$ | = | $- a y_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}$ | (12i) | Hg III |
| $\mathbf{B_{23}}$ | = | $y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}$ | (12i) | Hg III |
| $\mathbf{B_{24}}$ | = | $- y_{4} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}$ | (12i) | Hg III |
| $\mathbf{B_{25}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{26}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{27}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{28}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{29}}$ | = | $y_{5} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{30}}$ | = | $y_{5} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{31}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{32}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{33}}$ | = | $y_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{34}}$ | = | $- y_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{35}}$ | = | $y_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
| $\mathbf{B_{36}}$ | = | $- y_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12j) | Hg IV |
References
- G. Peyronel, Struttura della fase BaHg$_{11}$, Gazz. Chim. Ital. 82, 679–690 (1952).
Found in
- P. Villars, Material Phases Data System (MPDS) (SpringerMaterials, CH-6354 Vitznau, Switzerland, 2014).
- W. B. Pearson, The Crystal Chemistry and Physics of Metals and Alloys (Wiley Interscience, New York, London, Sydney, Tornoto, 1972).
Prototype Generator
aflow --proto=AB11_cP36_221_c_agij --params=$a,x_{3},y_{4},y_{5}$