Pt3O4 Structure: A4B3_cI14_229_c_b
| Prototype | : | Pt3O4 |
| AFLOW prototype label | : | A4B3_cI14_229_c_b |
| Strukturbericht designation | : | None |
| Pearson symbol | : | cI14 |
| Space group number | : | 229 |
| Space group symbol | : | $\text{Im}\bar{3}\text{m}$ |
| AFLOW prototype command | : | aflow --proto=A4B3_cI14_229_c_b --params=$a$ |
- This is a simple defect superstructure of the CsCl (B2) structure. One atom has been removed from a 2$\times$2$\times$2 supercell of CsCl.
Body-centered Cubic primitive vectors:
\[ \begin{array}{ccc} \mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, a \, \mathbf{\hat{y}} + \frac12 \, a \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, a \, \mathbf{\hat{y}} - \frac12 \, a \, \mathbf{\hat{z}} \\ \end{array} \]
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = &\frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}& \left(6b\right) & \text{Pt} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{y}}& \left(6b\right) & \text{Pt} \\ \mathbf{B}_{3} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{z}}& \left(6b\right) & \text{Pt} \\ \mathbf{B}_{4} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac14 \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{O} \\ \mathbf{B}_{5} & = &\frac12 \, \mathbf{a}_{3}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac34 \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{O} \\ \mathbf{B}_{6} & = &\frac12 \, \mathbf{a}_{2}& = &\frac14 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}+ \frac14 \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{O} \\ \mathbf{B}_{7} & = &\frac12 \, \mathbf{a}_{1}& = &\frac34 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ \frac14 \, a \, \mathbf{\hat{z}}& \left(8c\right) & \text{O} \\ \end{array} \]References
- O. Muller and R. Roy, Formation and stability of the platinum and rhodium oxides at high oxygen pressures and the structures of Pt3O4, beta–PtO2 and RhO2, J. Less–Common Met. 16, 129–146 (1968), doi:10.1016/0022-5088(68)90070-2.
- E. E. Galloni and A. E. Roffo Jr., The Crystalline Structure of Pt3O4, J. Chem. Phys. 9, 875–877 (1941), doi:10.1063/1.1750860.
Found in
- P. Villars and L. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases (ASM International, Materials Park, OH, 1991), 2nd edn., pp. 4751.