K2OsO2Cl4 ($J1_{5}$) Structure : A4B2C2D_tI18_139_h_d_e_a

Picture of Structure; Click for Big Picture
Prototype : Cl4K2O2Os
AFLOW prototype label : A4B2C2D_tI18_139_h_d_e_a
Strukturbericht designation : $J1_{5}$
Pearson symbol : tI18
Space group number : 139
Space group symbol : $I4/mmm$
AFLOW prototype command : aflow --proto=A4B2C2D_tI18_139_h_d_e_a
--params=
$a$,$c/a$,$z_{3}$,$x_{4}$


Body-centered Tetragonal primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Os} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \mbox{K} \\ \mathbf{B}_{3} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4d\right) & \mbox{K} \\ \mathbf{B}_{4} & = & z_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} & = & z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{O} \\ \mathbf{B}_{5} & = & -z_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} & = & -z_{3}c \, \mathbf{\hat{z}} & \left(4e\right) & \mbox{O} \\ \mathbf{B}_{6} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + 2x_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \mbox{Cl} \\ \mathbf{B}_{7} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2}-2x_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \mbox{Cl} \\ \mathbf{B}_{8} & = & x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \mbox{Cl} \\ \mathbf{B}_{9} & = & -x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} & \left(8h\right) & \mbox{Cl} \\ \end{array} \]

References

  • J. L. Hoard and J. D. Grenko, The Crystal Structure of Potassium Osmyl Chloride, K2OsO2Cl4, Zeitschrift für Kristallographie – Crystalline Materials 87, 100–109 (1934), doi:10.1524/zkri.1934.87.1.100.

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=A4B2C2D_tI18_139_h_d_e_a --params=

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