Cs3As2Cl9 ($K7_{3}$) Structure : A2B9C3_hP14_150_d_eg_ad

Picture of Structure; Click for Big Picture
Prototype : As2Cl9Cs3
AFLOW prototype label : A2B9C3_hP14_150_d_eg_ad
Strukturbericht designation : $K7_{3}$
Pearson symbol : hP14
Space group number : 150
Space group symbol : $P321$
AFLOW prototype command : aflow --proto=A2B9C3_hP14_150_d_eg_ad
--params=
$a$,$c/a$,$z_{2}$,$z_{3}$,$x_{4}$,$x_{5}$,$y_{5}$,$z_{5}$


Trigonal Hexagonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac{\sqrt3}2 \, a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

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{Cs I} \\ \mathbf{B}_{2} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \mbox{As} \\ \mathbf{B}_{3} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \mbox{As} \\ \mathbf{B}_{4} & = & \frac{1}{3} \, \mathbf{a}_{1} + \frac{2}{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(2d\right) & \mbox{Cs II} \\ \mathbf{B}_{5} & = & \frac{2}{3} \, \mathbf{a}_{1} + \frac{1}{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{2\sqrt{3}}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(2d\right) & \mbox{Cs II} \\ \mathbf{B}_{6} & = & x_{4} \, \mathbf{a}_{1} & = & \frac{1}{2}x_{4}a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{4}a \, \mathbf{\hat{y}} & \left(3e\right) & \mbox{Cl I} \\ \mathbf{B}_{7} & = & x_{4} \, \mathbf{a}_{2} & = & \frac{1}{2}x_{4}a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{4}a \, \mathbf{\hat{y}} & \left(3e\right) & \mbox{Cl I} \\ \mathbf{B}_{8} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}} & \left(3e\right) & \mbox{Cl I} \\ \mathbf{B}_{9} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{5}+y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(-x_{5}+y_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(6g\right) & \mbox{Cl II} \\ \mathbf{B}_{10} & = & -y_{5} \, \mathbf{a}_{1} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{5}-y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(6g\right) & \mbox{Cl II} \\ \mathbf{B}_{11} & = & \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(-x_{5}+\frac{1}{2}y_{5}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(6g\right) & \mbox{Cl II} \\ \mathbf{B}_{12} & = & y_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \frac{1}{2}\left(x_{5}+y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}\left(x_{5}-y_{5}\right)a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(6g\right) & \mbox{Cl II} \\ \mathbf{B}_{13} & = & \left(x_{5}-y_{5}\right) \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}x_{5}-y_{5}\right)a \, \mathbf{\hat{x}}-\frac{\sqrt{3}}{2}x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(6g\right) & \mbox{Cl II} \\ \mathbf{B}_{14} & = & -x_{5} \, \mathbf{a}_{1} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \left(-x_{5}+\frac{1}{2}y_{5}\right)a \, \mathbf{\hat{x}} + \frac{\sqrt{3}}{2}y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(6g\right) & \mbox{Cl II} \\ \end{array} \]

References

  • J. L. Hoard and L. Goldstein, The Structure of Caesium Enneachlordiarsenite, Cs3As2Cl9, J. Chem. Phys. 3, 117–122 (1935), doi:10.1063/1.1749606.

Geometry files


Prototype Generator

aflow --proto=A2B9C3_hP14_150_d_eg_ad --params=

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