Ce$_{5}$Mo$_{3}$O$_{16}$ Structure: A5B3C16_cP96_222_ce_d_fi-001
| Prototype | Ce$_{5}$Mo$_{3}$O$_{16}$ |
| AFLOW prototype label | A5B3C16_cP96_222_ce_d_fi-001 |
| ICSD | none |
| Pearson symbol | cP96 |
| Space group number | 222 |
| Space group symbol | $Pn\overline{3}n$ |
| AFLOW prototype command |
aflow --proto=A5B3C16_cP96_222_ce_d_fi-001
--params=$a, \allowbreak x_{3}, \allowbreak x_{4}, \allowbreak x_{5}, \allowbreak y_{5}, \allowbreak z_{5}$ |
Other compounds with this structure
CdTm$_{4}$MoO$_{3}$O$_{16}$, CdY$_{4}$Mo$_{3}$O$_{16}$, La$_{5}$Mo$_{3}$O$_{16}$, Nd$_{5}$Mo$_{3}$O$_{16}$
\[ \begin{array}{ccc}
\mathbf{a_{1}}&=&a \,\mathbf{\hat{x}}\\\mathbf{a_{2}}&=&a \,\mathbf{\hat{y}}\\\mathbf{a_{3}}&=&a \,\mathbf{\hat{z}}
\end{array}\]
Basis vectors
| Lattice coordinates | Cartesian coordinates | Wyckoff position | Atom type | |||
|---|---|---|---|---|---|---|
| $\mathbf{B_{1}}$ | = | $0$ | = | $0$ | (8c) | Ce I |
| $\mathbf{B_{2}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}$ | (8c) | Ce I |
| $\mathbf{B_{3}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (8c) | Ce I |
| $\mathbf{B_{4}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (8c) | Ce I |
| $\mathbf{B_{5}}$ | = | $\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{z}}$ | (8c) | Ce I |
| $\mathbf{B_{6}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (8c) | Ce I |
| $\mathbf{B_{7}}$ | = | $\frac{1}{2} \, \mathbf{a}_{2}$ | = | $\frac{1}{2}a \,\mathbf{\hat{y}}$ | (8c) | Ce I |
| $\mathbf{B_{8}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}$ | (8c) | Ce I |
| $\mathbf{B_{9}}$ | = | $\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{10}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{11}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{12}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{13}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}$ | (12d) | Mo I |
| $\mathbf{B_{14}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{15}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{16}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{1}{2} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{17}}$ | = | $\frac{1}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{18}}$ | = | $\frac{1}{2} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{19}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{1}{2} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}$ | (12d) | Mo I |
| $\mathbf{B_{20}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}$ | (12d) | Mo I |
| $\mathbf{B_{21}}$ | = | $x_{3} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $a x_{3} \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{22}}$ | = | $- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{23}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+x_{3} \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{24}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{1}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{25}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+x_{3} \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{26}}$ | = | $\frac{1}{4} \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}- \left(x_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{1}{4}a \,\mathbf{\hat{x}}+\frac{1}{4}a \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{27}}$ | = | $- x_{3} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $- a x_{3} \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{28}}$ | = | $\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{29}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}- x_{3} \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{30}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+\frac{3}{4}a \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{31}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- x_{3} \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{32}}$ | = | $\frac{3}{4} \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\left(x_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $\frac{3}{4}a \,\mathbf{\hat{x}}+\frac{3}{4}a \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (12e) | Ce II |
| $\mathbf{B_{33}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{34}}$ | = | $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{35}}$ | = | $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{36}}$ | = | $x_{4} \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{37}}$ | = | $x_{4} \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{38}}$ | = | $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{39}}$ | = | $x_{4} \, \mathbf{a}_{1}- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $a x_{4} \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{40}}$ | = | $- \left(x_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{4} \, \mathbf{a}_{2}+x_{4} \, \mathbf{a}_{3}$ | = | $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{41}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{42}}$ | = | $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{43}}$ | = | $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{44}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{45}}$ | = | $- x_{4} \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{46}}$ | = | $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{47}}$ | = | $- x_{4} \, \mathbf{a}_{1}+\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $- a x_{4} \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{48}}$ | = | $\left(x_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{4} \, \mathbf{a}_{2}- x_{4} \, \mathbf{a}_{3}$ | = | $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ | (16f) | O I |
| $\mathbf{B_{49}}$ | = | $x_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{50}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{51}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{52}}$ | = | $x_{5} \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{53}}$ | = | $z_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{54}}$ | = | $z_{5} \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{55}}$ | = | $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{56}}$ | = | $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{57}}$ | = | $y_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{58}}$ | = | $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{59}}$ | = | $y_{5} \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{60}}$ | = | $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{61}}$ | = | $y_{5} \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{62}}$ | = | $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{63}}$ | = | $y_{5} \, \mathbf{a}_{1}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $a y_{5} \,\mathbf{\hat{x}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{64}}$ | = | $- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+x_{5} \, \mathbf{a}_{2}+z_{5} \, \mathbf{a}_{3}$ | = | $- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{5} \,\mathbf{\hat{y}}+a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{65}}$ | = | $x_{5} \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{66}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+z_{5} \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{5} \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{67}}$ | = | $- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{68}}$ | = | $x_{5} \, \mathbf{a}_{1}- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+y_{5} \, \mathbf{a}_{3}$ | = | $a x_{5} \,\mathbf{\hat{x}}- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{69}}$ | = | $z_{5} \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{70}}$ | = | $z_{5} \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $a z_{5} \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{71}}$ | = | $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}+y_{5} \, \mathbf{a}_{2}+x_{5} \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{5} \,\mathbf{\hat{y}}+a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{72}}$ | = | $- \left(z_{5} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{5} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{5} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a \left(z_{5} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{5} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(x_{5} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{73}}$ | = | $- x_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{74}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{75}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{76}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{77}}$ | = | $- z_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{78}}$ | = | $- z_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{79}}$ | = | $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{80}}$ | = | $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{81}}$ | = | $- y_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{82}}$ | = | $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{83}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{84}}$ | = | $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{85}}$ | = | $- y_{5} \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{86}}$ | = | $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{87}}$ | = | $- y_{5} \, \mathbf{a}_{1}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $- a y_{5} \,\mathbf{\hat{x}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{88}}$ | = | $\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- x_{5} \, \mathbf{a}_{2}- z_{5} \, \mathbf{a}_{3}$ | = | $a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{5} \,\mathbf{\hat{y}}- a z_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{89}}$ | = | $- x_{5} \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{90}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- z_{5} \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{5} \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{91}}$ | = | $\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{92}}$ | = | $- x_{5} \, \mathbf{a}_{1}+\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- y_{5} \, \mathbf{a}_{3}$ | = | $- a x_{5} \,\mathbf{\hat{x}}+a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{93}}$ | = | $- z_{5} \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{94}}$ | = | $- z_{5} \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $- a z_{5} \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{95}}$ | = | $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}- y_{5} \, \mathbf{a}_{2}- x_{5} \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{5} \,\mathbf{\hat{y}}- a x_{5} \,\mathbf{\hat{z}}$ | (48i) | O II |
| $\mathbf{B_{96}}$ | = | $\left(z_{5} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{5} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{5} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ | = | $a \left(z_{5} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{5} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(x_{5} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ | (48i) | O II |
References
- P.-H. Hubert, Contribution à l'étude des molybdites des terres rares: II. Molybdites cubiques $Pn\overline{3}n$, Bull. Soc. Chim. Fr. pp. 475–477 (1975).
Found in
- P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds (2013). ASM International.
Prototype Generator
aflow --proto=A5B3C16_cP96_222_ce_d_fi --params=$a,x_{3},x_{4},x_{5},y_{5},z_{5}$