Litharge (PbO, $B10$) Structure: AB_tP4_129_a_c

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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


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.

Geometry files


Prototype Generator

aflow --proto=AB_tP4_129_a_c --params=

Species:

Running:

Output: