Rh3P2 Structure: A2B3_tP5_115_g_ag

Picture of Structure; Click for Big Picture
Prototype : Rh3P2
AFLOW prototype label : A2B3_tP5_115_g_ag
Strukturbericht designation : None
Pearson symbol : tP5
Space group number : 115
Space group symbol : $P\bar{4}m2$
AFLOW prototype command : aflow --proto=A2B3_tP5_115_g_ag
--params=
$a$,$c/a$,$z_{2}$,$z_{3}$


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:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{Rh I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{P} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{2}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{P} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{Rh II} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-z_{3}c \, \mathbf{\hat{z}} & \left(2g\right) & \mbox{Rh II} \\ \end{array} \]

References

  • E. H. El Ghadraoui, R. Guerin, and M. Sergent, Diphosphure de trirhodium, Rh3P2: premier exemple d'une structure lacunaire ordonnée de type it anti–PbFCl, Acta Crystallogr. C 39, 1493–1494 (1983), doi:10.1107/S0108270183009002.

Found in

  • P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).

Geometry files


Prototype Generator

aflow --proto=A2B3_tP5_115_g_ag --params=

Species:

Running:

Output: