CsO Structure : AB_oI8_71_g_i

Picture of Structure; Click for Big Picture
Prototype : CsO
AFLOW prototype label : AB_oI8_71_g_i
Strukturbericht designation : None
Pearson symbol : oI8
Space group number : 71
Space group symbol : $Immm$
AFLOW prototype command : aflow --proto=AB_oI8_71_g_i
--params=
$a$,$b/a$,$c/a$,$y_{1}$,$z_{2}$


  • (Massalski, 1990) credits the discovery of this structure to (Rengade, 1909), but we have been unable to obtain a copy of this reference. (Downs, 2003) quotes (Wyckoff, 1963) giving an $Immm$–oI8 structure for CsO. Since this is the same space group and Pearson symbol as found in Massalski, we use Wyckoff's data.

Body-centered Orthorhombic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & - \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} + \frac12 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} - \frac12 \, c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{3} & = & y_{1}b \, \mathbf{\hat{y}} & \left(4g\right) & \mbox{Cs} \\ \mathbf{B}_{2} & = & -y_{1} \, \mathbf{a}_{1}-y_{1} \, \mathbf{a}_{3} & = & -y_{1}b \, \mathbf{\hat{y}} & \left(4g\right) & \mbox{Cs} \\ \mathbf{B}_{3} & = & z_{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2} & = & z_{2}c \, \mathbf{\hat{z}} & \left(4i\right) & \mbox{O} \\ \mathbf{B}_{4} & = & -z_{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{2} & = & -z_{2}c \, \mathbf{\hat{z}} & \left(4i\right) & \mbox{O} \\ \end{array} \]

References

  • M. E. Rengade, Sur les Sous–Oxydes de Caesium, C. R. Acad. Sci. C 148, 1199–1202 (1909).

Found in

  • T. B. Massalski, H. Okamoto, P. R. Subramanian, and L. Kacprzak, eds., Binary Alloy Phase Diagrams, vol. 2 (ASM International, Materials Park, Ohio, USA, 1990), 2nd edn. Cd–Ce to Hf–Rb.
  • R. T. Downs and M. Hall–Wallace, The American Mineralogist Crystal Structure Database, Am. Mineral. 88, 247–250 (2003).
  • R. W. G. Wyckoff, Crystal Structures, vol. 1 (Interscience Publishers, New York, 1963), second edn.

Geometry files


Prototype Generator

aflow --proto=AB_oI8_71_g_i --params=

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