$\alpha$–ReO3 ($D0_{9}$) Structure: A3B_cP4_221_d_a

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Prototype : $\alpha$–ReO3
AFLOW prototype label : A3B_cP4_221_d_a
Strukturbericht designation : $D0_{9}$
Pearson symbol : cP4
Space group number : 221
Space group symbol : $\mbox{Pm}\bar{3}\mbox{m}$
AFLOW prototype command : aflow --proto=A3B_cP4_221_d_a
--params=
$a$


Other compounds with this structure

  • Cu3N, WO3, UO3

Simple Cubic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & a \, \mathbf{\hat{z}} \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = &0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = &0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(1a\right) & \mbox{Re} \\ \mathbf{B}_{2} & = &\frac12 \, \mathbf{a}_{1}& = &\frac12 \, a \, \mathbf{\hat{x}}& \left(3d\right) & \mbox{O} \\ \mathbf{B}_{3} & = &\frac12 \, \mathbf{a}_{2}& = &\frac12 \, a \, \mathbf{\hat{y}}& \left(3d\right) & \mbox{O} \\ \mathbf{B}_{4} & = &\frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{z}}& \left(3d\right) & \mbox{O} \\ \end{array} \]

References

  • K. Meisel, Rheniumtrioxyd. III. Mitteilung. Über die Kristallstruktur des Rheniumtrioxyds, Z. Anorg. Allg. Chem. 207, 121–128 (1932), doi:10.1002/zaac.19322070113.

Found in

  • R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).

Geometry files


Prototype Generator

aflow --proto=A3B_cP4_221_d_a --params=

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