AFLOW Prototype: A22B_cF184_227_cdfg_a-001
This structure originally had the label A22B_cF184_227_cdfg_a. Calls to that address will be redirected here.
If you are using this page, please cite:
D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)
Links to this page
https://aflow.org/p/MX6R
or
https://aflow.org/p/A22B_cF184_227_cdfg_a-001
or
PDF Version
Prototype | Zn$_{22}$Zr |
AFLOW prototype label | A22B_cF184_227_cdfg_a-001 |
ICSD | 106238 |
Pearson symbol | cF184 |
Space group number | 227 |
Space group symbol | $Fd\overline{3}m$ |
AFLOW prototype command |
aflow --proto=A22B_cF184_227_cdfg_a-001
--params=$a, \allowbreak x_{4}, \allowbreak x_{5}, \allowbreak z_{5}$ |
Be$_{22}$Mo, Be$_{22}$Re, Be$_{22}$W, Al$_{18}$Cr$_{2}$Mg$_{3}$, Ce(TiAl$_{10}$)$_{2}$, Dy(RhZn$_{10}$)$_{2}$, U(VAl$_{10}$)$_{2}$, Y(RuZn$_{10}$)$_{2}$
Zn$_{14}$Zrstructure is created when zirconium atoms replace some of the zinc atoms on the (16c) site [the (16d) site in Samson's orientation].
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) | Zr 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) | Zr I |
$\mathbf{B_{3}}$ | = | $0$ | = | $0$ | (16c) | Zn I |
$\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ | (16c) | Zn I |
$\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16c) | Zn I |
$\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16c) | Zn I |
$\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (16d) | Zn II |
$\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (16d) | Zn II |
$\mathbf{B_{9}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16d) | Zn II |
$\mathbf{B_{10}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (16d) | Zn II |
$\mathbf{B_{11}}$ | = | $- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{12}}$ | = | $x_{4} \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{13}}$ | = | $x_{4} \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{14}}$ | = | $- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{15}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{16}}$ | = | $- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{4}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{17}}$ | = | $\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{3}{4}\right) \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{18}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{19}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{3}{4}\right) \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{20}}$ | = | $\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{21}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{22}}$ | = | $\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + \frac{3}{4}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (48f) | Zn III |
$\mathbf{B_{23}}$ | = | $z_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{24}}$ | = | $z_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{25}}$ | = | $\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{1}- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{26}}$ | = | $- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{27}}$ | = | $\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{28}}$ | = | $- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{29}}$ | = | $z_{5} \, \mathbf{a}_{1}+\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{2}- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{30}}$ | = | $z_{5} \, \mathbf{a}_{1}- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{31}}$ | = | $z_{5} \, \mathbf{a}_{1}+\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{32}}$ | = | $z_{5} \, \mathbf{a}_{1}- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{33}}$ | = | $- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{34}}$ | = | $\left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}- \left(2 x_{5} + z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{35}}$ | = | $- z_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{36}}$ | = | $- z_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{37}}$ | = | $- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{1}+\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{38}}$ | = | $\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{39}}$ | = | $- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{40}}$ | = | $\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{41}}$ | = | $- z_{5} \, \mathbf{a}_{1}- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{42}}$ | = | $- z_{5} \, \mathbf{a}_{1}+\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{43}}$ | = | $- z_{5} \, \mathbf{a}_{1}- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{2}+\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{44}}$ | = | $- z_{5} \, \mathbf{a}_{1}+\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{45}}$ | = | $\left(2 x_{5} + z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (96g) | Zn IV |
$\mathbf{B_{46}}$ | = | $- \left(2 x_{5} - z_{5}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (96g) | Zn IV |