Encyclopedia of Crystallographic Prototypes

AFLOW Prototype: A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e

  • M. J. Mehl, D. Hicks, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 1, Comp. Mat. Sci. 136, S1-S828 (2017). (doi=10.1016/j.commatsci.2017.01.017)
  • D. Hicks, M. J. Mehl, E. Gossett, C. Toher, O. Levy, R. M. Hanson, G. L. W. Hart, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 2, Comp. Mat. Sci. 161, S1-S1011 (2019). (doi=10.1016/j.commatsci.2018.10.043)
  • D. Hicks, M.J. Mehl, M. Esters, C. Oses, O. Levy, G.L.W. Hart, C. Toher, and S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 3, Comp. Mat. Sci. 199, 110450 (2021). (doi=10.1016/j.commatsci.2021.110450)

K2Pt(SCN)6·2H2O Structure : A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e

Picture of Structure; Click for Big Picture
Prototype : C6H4K2N6O2PtS6
AFLOW prototype label : A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e
Strukturbericht designation : None
Pearson symbol : mP54
Space group number : 14
Space group symbol : $P2_{1}/c$
AFLOW prototype command : aflow --proto=A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e
--params=
$a$,$b/a$,$c/a$,$\beta$,$x_{2}$,$y_{2}$,$z_{2}$,$x_{3}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$,$x_{6}$,$y_{6}$,$z_{6}$,$x_{7}$,$y_{7}$,$z_{7}$,$x_{8}$,$y_{8}$,$z_{8}$,$x_{9}$,$y_{9}$,$z_{9}$,$x_{10}$,$y_{10}$,$z_{10}$,$x_{11}$,$y_{11}$,$z_{11}$,$x_{12}$,$y_{12}$,$z_{12}$,$x_{13}$,$y_{13}$,$z_{13}$,$x_{14}$,$y_{14}$,$z_{14}$


Other compounds with this structure

  • Rb2Pt(SCN)6·2H2O and NH42Pt(SCN)6·2H2O


Simple Monoclinic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{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) & \text{Pt} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c\cos\beta \, \mathbf{\hat{x}} + \frac{1}{2}b \, \mathbf{\hat{y}} + \frac{1}{2}c\sin\beta \, \mathbf{\hat{z}} & \left(2a\right) & \text{Pt} \\ \mathbf{B}_{3} & = & x_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \left(x_{2}a+z_{2}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{2}b \, \mathbf{\hat{y}} + z_{2}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C I} \\ \mathbf{B}_{4} & = & -x_{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{2}a - z_{2}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{2}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{2}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C I} \\ \mathbf{B}_{5} & = & -x_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \left(-x_{2}a-z_{2}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{2}b \, \mathbf{\hat{y}}-z_{2}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C I} \\ \mathbf{B}_{6} & = & x_{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{2}a + z_{2}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{2}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C I} \\ \mathbf{B}_{7} & = & x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(x_{3}a+z_{3}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + z_{3}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C II} \\ \mathbf{B}_{8} & = & -x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{3}a - z_{3}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C II} \\ \mathbf{B}_{9} & = & -x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \left(-x_{3}a-z_{3}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}}-z_{3}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C II} \\ \mathbf{B}_{10} & = & x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{3}a + z_{3}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{3}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C II} \\ \mathbf{B}_{11} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(x_{4}a+z_{4}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + z_{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C III} \\ \mathbf{B}_{12} & = & -x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{4}a - z_{4}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C III} \\ \mathbf{B}_{13} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(-x_{4}a-z_{4}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}}-z_{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C III} \\ \mathbf{B}_{14} & = & x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{4}a + z_{4}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{4}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{C III} \\ \mathbf{B}_{15} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(x_{5}a+z_{5}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{5}b \, \mathbf{\hat{y}} + z_{5}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H I} \\ \mathbf{B}_{16} & = & -x_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{5}a - z_{5}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{5}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H I} \\ \mathbf{B}_{17} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \left(-x_{5}a-z_{5}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{5}b \, \mathbf{\hat{y}}-z_{5}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H I} \\ \mathbf{B}_{18} & = & x_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{5}a + z_{5}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{5}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H I} \\ \mathbf{B}_{19} & = & x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \left(x_{6}a+z_{6}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{6}b \, \mathbf{\hat{y}} + z_{6}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H II} \\ \mathbf{B}_{20} & = & -x_{6} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{6}a - z_{6}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{6}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{6}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H II} \\ \mathbf{B}_{21} & = & -x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & \left(-x_{6}a-z_{6}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{6}b \, \mathbf{\hat{y}}-z_{6}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H II} \\ \mathbf{B}_{22} & = & x_{6} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{6}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{6}a + z_{6}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{6}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{6}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{H II} \\ \mathbf{B}_{23} & = & x_{7} \, \mathbf{a}_{1} + y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \left(x_{7}a+z_{7}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{7}b \, \mathbf{\hat{y}} + z_{7}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{K} \\ \mathbf{B}_{24} & = & -x_{7} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{7}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{7}a - z_{7}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{7}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{7}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{K} \\ \mathbf{B}_{25} & = & -x_{7} \, \mathbf{a}_{1}-y_{7} \, \mathbf{a}_{2}-z_{7} \, \mathbf{a}_{3} & = & \left(-x_{7}a-z_{7}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{7}b \, \mathbf{\hat{y}}-z_{7}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{K} \\ \mathbf{B}_{26} & = & x_{7} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{7}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{7}a + z_{7}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{7}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{7}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{K} \\ \mathbf{B}_{27} & = & x_{8} \, \mathbf{a}_{1} + y_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \left(x_{8}a+z_{8}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{8}b \, \mathbf{\hat{y}} + z_{8}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N I} \\ \mathbf{B}_{28} & = & -x_{8} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{8}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{8}a - z_{8}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{8}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{8}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N I} \\ \mathbf{B}_{29} & = & -x_{8} \, \mathbf{a}_{1}-y_{8} \, \mathbf{a}_{2}-z_{8} \, \mathbf{a}_{3} & = & \left(-x_{8}a-z_{8}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{8}b \, \mathbf{\hat{y}}-z_{8}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N I} \\ \mathbf{B}_{30} & = & x_{8} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{8}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{8}a + z_{8}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{8}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{8}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N I} \\ \mathbf{B}_{31} & = & x_{9} \, \mathbf{a}_{1} + y_{9} \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & \left(x_{9}a+z_{9}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{9}b \, \mathbf{\hat{y}} + z_{9}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N II} \\ \mathbf{B}_{32} & = & -x_{9} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{9}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{9}a - z_{9}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{9}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{9}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N II} \\ \mathbf{B}_{33} & = & -x_{9} \, \mathbf{a}_{1}-y_{9} \, \mathbf{a}_{2}-z_{9} \, \mathbf{a}_{3} & = & \left(-x_{9}a-z_{9}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{9}b \, \mathbf{\hat{y}}-z_{9}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N II} \\ \mathbf{B}_{34} & = & x_{9} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{9}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{9}a + z_{9}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{9}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{9}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N II} \\ \mathbf{B}_{35} & = & x_{10} \, \mathbf{a}_{1} + y_{10} \, \mathbf{a}_{2} + z_{10} \, \mathbf{a}_{3} & = & \left(x_{10}a+z_{10}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{10}b \, \mathbf{\hat{y}} + z_{10}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N III} \\ \mathbf{B}_{36} & = & -x_{10} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{10}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{10}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{10}a - z_{10}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{10}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{10}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N III} \\ \mathbf{B}_{37} & = & -x_{10} \, \mathbf{a}_{1}-y_{10} \, \mathbf{a}_{2}-z_{10} \, \mathbf{a}_{3} & = & \left(-x_{10}a-z_{10}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{10}b \, \mathbf{\hat{y}}-z_{10}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N III} \\ \mathbf{B}_{38} & = & x_{10} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{10}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{10}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{10}a + z_{10}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{10}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{10}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{N III} \\ \mathbf{B}_{39} & = & x_{11} \, \mathbf{a}_{1} + y_{11} \, \mathbf{a}_{2} + z_{11} \, \mathbf{a}_{3} & = & \left(x_{11}a+z_{11}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{11}b \, \mathbf{\hat{y}} + z_{11}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{O} \\ \mathbf{B}_{40} & = & -x_{11} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{11}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{11}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{11}a - z_{11}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{11}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{11}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{O} \\ \mathbf{B}_{41} & = & -x_{11} \, \mathbf{a}_{1}-y_{11} \, \mathbf{a}_{2}-z_{11} \, \mathbf{a}_{3} & = & \left(-x_{11}a-z_{11}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{11}b \, \mathbf{\hat{y}}-z_{11}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{O} \\ \mathbf{B}_{42} & = & x_{11} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{11}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{11}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{11}a + z_{11}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{11}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{11}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{O} \\ \mathbf{B}_{43} & = & x_{12} \, \mathbf{a}_{1} + y_{12} \, \mathbf{a}_{2} + z_{12} \, \mathbf{a}_{3} & = & \left(x_{12}a+z_{12}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{12}b \, \mathbf{\hat{y}} + z_{12}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S I} \\ \mathbf{B}_{44} & = & -x_{12} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{12}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{12}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{12}a - z_{12}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{12}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{12}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S I} \\ \mathbf{B}_{45} & = & -x_{12} \, \mathbf{a}_{1}-y_{12} \, \mathbf{a}_{2}-z_{12} \, \mathbf{a}_{3} & = & \left(-x_{12}a-z_{12}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{12}b \, \mathbf{\hat{y}}-z_{12}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S I} \\ \mathbf{B}_{46} & = & x_{12} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{12}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{12}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{12}a + z_{12}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{12}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{12}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S I} \\ \mathbf{B}_{47} & = & x_{13} \, \mathbf{a}_{1} + y_{13} \, \mathbf{a}_{2} + z_{13} \, \mathbf{a}_{3} & = & \left(x_{13}a+z_{13}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{13}b \, \mathbf{\hat{y}} + z_{13}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S II} \\ \mathbf{B}_{48} & = & -x_{13} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{13}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{13}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{13}a - z_{13}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{13}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{13}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S II} \\ \mathbf{B}_{49} & = & -x_{13} \, \mathbf{a}_{1}-y_{13} \, \mathbf{a}_{2}-z_{13} \, \mathbf{a}_{3} & = & \left(-x_{13}a-z_{13}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{13}b \, \mathbf{\hat{y}}-z_{13}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S II} \\ \mathbf{B}_{50} & = & x_{13} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{13}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{13}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{13}a + z_{13}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{13}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{13}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S II} \\ \mathbf{B}_{51} & = & x_{14} \, \mathbf{a}_{1} + y_{14} \, \mathbf{a}_{2} + z_{14} \, \mathbf{a}_{3} & = & \left(x_{14}a+z_{14}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{14}b \, \mathbf{\hat{y}} + z_{14}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S III} \\ \mathbf{B}_{52} & = & -x_{14} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{14}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{14}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta - x_{14}a - z_{14}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{14}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{14}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S III} \\ \mathbf{B}_{53} & = & -x_{14} \, \mathbf{a}_{1}-y_{14} \, \mathbf{a}_{2}-z_{14} \, \mathbf{a}_{3} & = & \left(-x_{14}a-z_{14}c\cos\beta\right) \, \mathbf{\hat{x}}-y_{14}b \, \mathbf{\hat{y}}-z_{14}c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S III} \\ \mathbf{B}_{54} & = & x_{14} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{14}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{14}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}c\cos\beta +x_{14}a + z_{14}c\cos\beta\right) \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{14}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{14}\right)c\sin\beta \, \mathbf{\hat{z}} & \left(4e\right) & \text{S III} \\ \end{array} \]

References

  • J. Arpalahti, J. Hölsä, and R. Sillanpää, Studies on Potassium Thiocyanatoplatinates. II. Crystal Structure of Potassium Hexathiocyanatoplatinate(IV) Dihydrate, K2Pt(SCN)6 · 2H2O, Acta Chem. Scand. 47, 1078–1082 (1993), doi:10.3891/acta.chem.scand.47-1078.

Geometry files


Prototype Generator

aflow --proto=A6B4C2D6E2FG6_mP54_14_3e_2e_e_3e_e_a_3e --params=

Species:

Running:

Output: