Litharge (PbO, $B10$) Structure: AB_tP4_129_a_c
| Prototype | : | PbO |
| AFLOW prototype label | : | AB_tP4_129_a_c |
| Strukturbericht designation | : | $B10$ |
| Pearson symbol | : | tP4 |
| Space group number | : | 129 |
| Space group symbol | : | $\mbox{P4/nmm}$ |
| AFLOW prototype command | : | aflow --proto=AB_tP4_129_a_c --params=$a,c/a,z_{2}$ |
Other compounds with this structure
- BiIn, FeS, SnO, and TlF-I
- Lead(II) Oxide (PbO) occurs in two forms: tetragonal litharge, Strukturbericht $B10$, stable at temperatures up to 760$^\circ$C; and orthorhmobic massicot, stable at higher temperatures, which is isostructural with the TlF-II structure. When $z=1/2$ the atoms in this structure are in the L10 (CuAu) or the A6 (indium) structure. This structure is identical to the Ad ($\beta$–Np) structure.
Simple Tetragonal primitive vectors:
\[
\begin{array}{ccc}
\mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\
\mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\
\mathbf{a}_3 & = & c \, \mathbf{\hat{z}}\\
\end{array}
\]
Basis vectors:
\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & =&\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}& \left(2a\right) & \mbox{O} \\ \mathbf{B}_{2} & =&\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}& \left(2a\right) & \mbox{O} \\ \mathbf{B}_{3} & =&\frac14 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ z_{2} \, \mathbf{a}_{3}& =&\frac14 \, a \, \mathbf{\hat{x}}+ \frac14 \, a \, \mathbf{\hat{y}}+ z_{2} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Pb} \\ \mathbf{B}_{4} & =&\frac34 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}- z_{2} \, \mathbf{a}_{3}& =&\frac34 \, a \, \mathbf{\hat{x}}+ \frac34 \, a \, \mathbf{\hat{y}}- z_{2} \, c \, \mathbf{\hat{z}}& \left(2c\right) & \mbox{Pb} \\ \end{array} \]References
- P. Boher, P. Garnier, J. R. Gavarri, and A. W. Hewat, Monoxyde quadratique PbOalpha(I): Description de la transition structurale ferroélastique, J. Solid State Chem. 57, 343–350 (1985), doi:10.1016/0022-4596(85)90197-5.
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. 4745.