K(SH) ($B22$) Structure : AB_hR2_166_a_b

Picture of Structure; Click for Big Picture
Prototype : KS
AFLOW prototype label : AB_hR2_166_a_b
Strukturbericht designation : $B22$
Pearson symbol : hR2
Space group number : 166
Space group symbol : $R\bar{3}m$
AFLOW prototype command : aflow --proto=AB_hR2_166_a_b
--params=
$a$,$c/a$


Other compounds with this structure

  • Na(SH), Rb(SH), and Cs(SH)

  • This is the room–temperature structure of KSH. The S and H atoms form an SH ion, and so are listed together at the ($1b$) Wyckoff postition, leading to the listing of this compound in the $B$ Strukturbericht category.

Rhombohedral primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & ~ \frac12 \, a \, \mathbf{\hat{x}} - \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}} + \frac13 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_2 & = & \frac{1}{\sqrt{3}} \, a \, \mathbf{\hat{y}} + \frac13 \, c \, \mathbf{\hat{z}} \\ \mathbf{a}_3 & = & - \frac12 \, a \, \mathbf{\hat{x}} - \frac{1}{2\sqrt{3}} \, a \, \mathbf{\hat{y}} + \frac13 \, c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(1a\right) & \mbox{K} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(1b\right) & \mbox{S} \\ \end{array} \]

References

  • C. D. West, The Crystal Structures of Some Alkali Hydrosulfides and Monosulfides, Zeitschrift für Kristallographie – Crystalline Materials 88, 97–115 (1934), doi:10.1524/zkri.1934.88.1.97.

Found in

  • C. Gottfried and F. Schossberger, eds., Strukturbericht Band III 1933–1935 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).

Geometry files


Prototype Generator

aflow --proto=AB_hR2_166_a_b --params=

Species:

Running:

Output: