${\alpha}$-LiFe$_{5}$O$_{8}$ Structure: A5BC8_cP56_212_cd_a_ce-001
| Prototype | Fe$_{5}$LiO$_{8}$ |
| AFLOW prototype label | A5BC8_cP56_212_cd_a_ce-001 |
| ICSD | 162806 |
| CCDC | 1679109 |
| Pearson symbol | cP56 |
| Space group number | 212 |
| Space group symbol | $P4_332$ |
| AFLOW prototype command |
aflow --proto=A5BC8_cP56_212_cd_a_ce-001
--params=$a, \allowbreak x_{2}, \allowbreak x_{3}, \allowbreak y_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}$ |
Other compounds with this structure
LiAl$_{5}$O$_{8}$, LiGa$_{5}$O$_{8}$, TeCo$_{5}$O$_{8}$
- This is the spinel-like low temperature structure of LiFe$_{5}$O$_{8}$. Above 720-750°C the lithium and iron sites are randomly distributed on the cobalt sites of the $D7_{2}$ cubic spinel structure (Iliev, 2011).
- Li$_{2}$NiGe$_{3}$O$_{5}$ is an ordered quaternary form of this structure.
- Space group $P4_{3}32$ #212 is a Sohncke Class II chiral space group, so this structure may also be found in the enantiomorphic space group $P4_{1}32$ #213.
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (4a) | Li I |
| $\mathbf{B_{2}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}+\frac{7}{8}a \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ | (4a) | Li I |
| $\mathbf{B_{3}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $\frac{7}{8}a \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (4a) | Li I |
| $\mathbf{B_{4}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $\frac{5}{8}a \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+\frac{7}{8}a \,\mathbf{\hat{z}}$ | (4a) | Li I |
| $\mathbf{B_{5}}$ | = | $x_{2} \, \mathbf{a}_{1}+x_{2} \, \mathbf{a}_{2}+x_{2} \, \mathbf{a}_{3}$ | = | $a x_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{6}}$ | = | $- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{2} \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{7}}$ | = | $- x_{2} \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{2} \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{8}}$ | = | $\left(x_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{2} \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{9}}$ | = | $\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(x_{2} + \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{3}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{10}}$ | = | $- \left(x_{2} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(x_{2} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{11}}$ | = | $\left(x_{2} + \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{2} + \frac{3}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{12}}$ | = | $- \left(x_{2} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(x_{2} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(x_{2} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{2} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | Fe I |
| $\mathbf{B_{13}}$ | = | $x_{3} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{14}}$ | = | $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{15}}$ | = | $- x_{3} \, \mathbf{a}_{1}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{16}}$ | = | $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{17}}$ | = | $\left(x_{3} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(x_{3} + \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(x_{3} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{3}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{18}}$ | = | $- \left(x_{3} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(x_{3} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{19}}$ | = | $\left(x_{3} + \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(x_{3} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{3}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{20}}$ | = | $- \left(x_{3} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(x_{3} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(x_{3} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (8c) | O I |
| $\mathbf{B_{21}}$ | = | $\frac{1}{8} \, \mathbf{a}_{1}+y_{4} \, \mathbf{a}_{2}- \left(y_{4} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{8}a \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{22}}$ | = | $\frac{3}{8} \, \mathbf{a}_{1}- y_{4} \, \mathbf{a}_{2}- \left(y_{4} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{3}{8}a \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{23}}$ | = | $\frac{7}{8} \, \mathbf{a}_{1}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{7}{8}a \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{24}}$ | = | $\frac{5}{8} \, \mathbf{a}_{1}- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $\frac{5}{8}a \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{25}}$ | = | $- \left(y_{4} - \frac{1}{4}\right) \, \mathbf{a}_{1}+\frac{1}{8} \, \mathbf{a}_{2}+y_{4} \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{26}}$ | = | $- \left(y_{4} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\frac{3}{8} \, \mathbf{a}_{2}- y_{4} \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{27}}$ | = | $\left(y_{4} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\frac{7}{8} \, \mathbf{a}_{2}+\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{7}{8}a \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{28}}$ | = | $\left(y_{4} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\frac{5}{8} \, \mathbf{a}_{2}- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{3}{4}\right) \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{29}}$ | = | $y_{4} \, \mathbf{a}_{1}- \left(y_{4} - \frac{1}{4}\right) \, \mathbf{a}_{2}+\frac{1}{8} \, \mathbf{a}_{3}$ | = | $a y_{4} \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{30}}$ | = | $- y_{4} \, \mathbf{a}_{1}- \left(y_{4} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\frac{3}{8} \, \mathbf{a}_{3}$ | = | $- a y_{4} \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{31}}$ | = | $\left(y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\frac{7}{8} \, \mathbf{a}_{3}$ | = | $a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{7}{8}a \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{32}}$ | = | $- \left(y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} + \frac{3}{4}\right) \, \mathbf{a}_{2}+\frac{5}{8} \, \mathbf{a}_{3}$ | = | $- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{3}{4}\right) \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ | (12d) | Fe II |
| $\mathbf{B_{33}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{34}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{35}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{36}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{37}}$ | = | $z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{38}}$ | = | $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{39}}$ | = | $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{40}}$ | = | $- z_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{41}}$ | = | $y_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{42}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{43}}$ | = | $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{44}}$ | = | $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{45}}$ | = | $\left(y_{5} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{3}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{46}}$ | = | $- \left(y_{5} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{47}}$ | = | $\left(y_{5} + \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{3}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{48}}$ | = | $- \left(y_{5} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{49}}$ | = | $\left(x_{5} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(z_{5} + \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{3}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{50}}$ | = | $- \left(x_{5} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(y_{5} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{51}}$ | = | $- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{52}}$ | = | $\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{3}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{53}}$ | = | $\left(z_{5} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{3}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{54}}$ | = | $\left(z_{5} + \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{3}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{3}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{55}}$ | = | $- \left(z_{5} - \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(x_{5} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{3}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{3}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
| $\mathbf{B_{56}}$ | = | $- \left(z_{5} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ | (24e) | O II |
References
- N. V. P. . A. B. K. A. I. Smolentsev, A. B. Meshalkin, Refinement of LiFe$_{5}$O$_{8}$ crystal structure, J. of Struct. Chem. 49, 953–956 (2008), doi:10.1007/s10947-008-0163-8.
- M. N. Iliev, V. G. Ivanov, N. D. Todorov, V. Marinova, M. V. Abrashev, R. P. Y.-Q. Wang, and A. P. Litvinchuk, Lattice dynamics of the α and β phases of LiFe$_{5}$O$_{8}$, Phys. Rev. B 83, 174111 (2011), doi:10.1103/PhysRevB.83.174111.
First cited in
- N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).
Geometry files
Prototype Generator
aflow --proto=A5BC8_cP56_212_cd_a_ce --params=$a,x_{2},x_{3},y_{4},x_{5},y_{5},z_{5}$