K2PtCl6 ($J1_{1}$) Structure: A6B2C_cF36_225_e_c_a

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Prototype : K2PtCl6
AFLOW prototype label : A6B2C_cF36_225_e_c_a
Strukturbericht designation : $J1_{1}$
Pearson symbol : cF36
Space group number : 225
Space group symbol : $Fm\bar{3}m$
AFLOW prototype command : aflow --proto=A6B2C_cF36_225_e_c_a
--params=
$a$,$x_{3}$


Other compounds with this structure

  • Gd2MnGa6, K22TeBr6, Sr2RuH66, K2MnCl6, K2PtCl6, K2SnCl6, Rb2MnCl6, Cs2CoF6, Cs2CsF6, Cs2GeCl6, Cs2MnCl6, Cs2PdBr6, Cs2SnCl6, Ca2FeH6, Mg2FeH6, Sr2FeH6, Ba2RuH6, Ca2RuH6, Mg2RuH6, Sr2RuH6, Ca2OsH6, Mg2OsH6, Sr2OsH6, Cs2GeF6, K2SnCl6, K2PtCl6, Rb2PdCl6, Cs2Ni(NH3)6, Br2Ni(NH3)6, I2Ni(NH3)6, Cl2Co(NH3)6, I2Co(NH3)6, (NH4)2PbCl6, (NH4)2PtCl6, (NH4)2SbCl6, (NH4)2SnCl6, and (NH4)2SiF6

  • (Ewald, 1931) originally listed this as Strukturbericht $H61$ ($H6_{1}$ in later notation). (Hermann, 1937) changed this to $I1_{1}$, and (Gottfried, 1937) changed it to $J1_{1}$. (Douglas, 2006), Table 6.6, provides an extensive list of compounds with this structure. Most have the formula $A$$_{2}$$MX$$_{6}$, where $A$ is an alkali metal, $M$ is a metal, and $X$ is a halide. An ammonium ion (NH$_{4}^{+}$) can also substitute for the alkali.

Face-centered Cubic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Pt} \\ \mathbf{B}_{2} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{K} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{3}{4}a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{K} \\ \mathbf{B}_{4} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} & \left(24e\right) & \mbox{Cl} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} & \left(24e\right) & \mbox{Cl} \\ \mathbf{B}_{6} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{y}} & \left(24e\right) & \mbox{Cl} \\ \mathbf{B}_{7} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{y}} & \left(24e\right) & \mbox{Cl} \\ \mathbf{B}_{8} & = & x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{z}} & \left(24e\right) & \mbox{Cl} \\ \mathbf{B}_{9} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{z}} & \left(24e\right) & \mbox{Cl} \\ \end{array} \]

References

  • G. Engel, Die Kristallstrukturen einiger Hexachlorokomplexsalze, Zeitschrift für Kristallographie – Crystalline Materials 90, 341–373 (1935), doi:10.1524/zkri.1935.90.1.341.
  • B. Douglas and S.–M. Ho, Structure and Chemistry of Crystalline Solids (Springer, 2006).
  • P. P. Ewald and C. Hermann, eds., Strukturbericht 1913-1928, (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1931).
  • C. Hermann, O. Lohrmann, and H. Philipp, eds., Strukturbericht Band II 1928-1932 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).
  • C. Gottfried and F. Schossberger, eds., Strukturbericht Band III 1933–1935 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1937).

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

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