NaTl ($B32$) Structure: AB_cF16_227_a_b-001
| Prototype | NaTl |
| AFLOW prototype label | AB_cF16_227_a_b-001 |
| Strukturbericht designation | $B32$ |
| ICSD | 645049 |
| CCDC | 1761531 |
| Pearson symbol | cF16 |
| Space group number | 227 |
| Space group symbol | $Fd\overline{3}m$ |
| AFLOW prototype command |
aflow --proto=AB_cF16_227_a_b-001
--params=$a$ |
Other compounds with this structure
AlLi, AlMo, AlNb, AlTa, AlV, AlW, BLi, BaMg, CdLi (γ-LiCd), GaLi, InK, InLi, InNa, KNa, KTl, LaMg, LiZn (δ''), MgNd, MgSn, MoTa, MoV, MoW, NbMo, NbTa, NbV, NbW, TaV, TaW, VW
- This is an example of a Zintl Phase.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (8a) | Na I |
| $\mathbf{B_{2}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $\frac{7}{8}a \,\mathbf{\hat{x}}+\frac{7}{8}a \,\mathbf{\hat{y}}+\frac{7}{8}a \,\mathbf{\hat{z}}$ | (8a) | Na I |
| $\mathbf{B_{3}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (8b) | Tl I |
| $\mathbf{B_{4}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $\frac{5}{8}a \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ | (8b) | Tl I |
References
- K. Kuriyama, S. Saito, and K. Iwamura, Ultrasonic study on the elastic moduli of the NaTl (B32) structure, J. Phys. Chem. Solids 40, 457–461 (1979), doi:10.1016/0022-3697(79)90062-3.
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
First cited in
- M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
Geometry files
Prototype Generator
aflow --proto=AB_cF16_227_a_b --params=$a$