SbCl5·POCl3 Structure : A8BCD_oP44_62_4c2d_c_c_c

Picture of Structure; Click for Big Picture
Prototype : Cl8OPSb
AFLOW prototype label : A8BCD_oP44_62_4c2d_c_c_c
Strukturbericht designation : None
Pearson symbol : oP44
Space group number : 62
Space group symbol : $Pnma$
AFLOW prototype command : aflow --proto=A8BCD_oP44_62_4c2d_c_c_c
--params=
$a$,$b/a$,$c/a$,$x_{1}$,$z_{1}$,$x_{2}$,$z_{2}$,$x_{3}$,$z_{3}$,$x_{4}$,$z_{4}$,$x_{5}$,$z_{5}$,$x_{6}$,$z_{6}$,$x_{7}$,$z_{7}$,$x_{8}$,$y_{8}$,$z_{8}$,$x_{9}$,$y_{9}$,$z_{9}$


Other compounds with this structure

  • SbCl5·POCl3(CH3)3

  • (Lindqvist, 1959) give the data for this structure in setting $Pmnb$ of space group #62. We used FINDSYM to exchange the $a$– and $b$–axes so that the structure is now in the standard $Pnma$ orientation.

Simple Orthorhombic primitive vectors:

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

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & x_{1} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3} & = & x_{1}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl I} \\ \mathbf{B}_{2} & = & \left(\frac{1}{2} - x_{1}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{1}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl I} \\ \mathbf{B}_{3} & = & -x_{1} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{1} \, \mathbf{a}_{3} & = & -x_{1}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{1}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl I} \\ \mathbf{B}_{4} & = & \left(\frac{1}{2} +x_{1}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{1}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{1}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{1}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl I} \\ \mathbf{B}_{5} & = & x_{2} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl II} \\ \mathbf{B}_{6} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl II} \\ \mathbf{B}_{7} & = & -x_{2} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl II} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{2}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl II} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl III} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl III} \\ \mathbf{B}_{11} & = & -x_{3} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl III} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl III} \\ \mathbf{B}_{13} & = & x_{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl IV} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl IV} \\ \mathbf{B}_{15} & = & -x_{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl IV} \\ \mathbf{B}_{16} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Cl IV} \\ \mathbf{B}_{17} & = & x_{5} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{18} & = & \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{19} & = & -x_{5} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{20} & = & \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{O} \\ \mathbf{B}_{21} & = & x_{6} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{P} \\ \mathbf{B}_{22} & = & \left(\frac{1}{2} - x_{6}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{6}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{6}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{P} \\ \mathbf{B}_{23} & = & -x_{6} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{6} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{6}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{P} \\ \mathbf{B}_{24} & = & \left(\frac{1}{2} +x_{6}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{6}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{6}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{P} \\ \mathbf{B}_{25} & = & x_{7} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} - x_{7}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{7}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{7}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{27} & = & -x_{7} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{7} \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}} + \frac{3}{4}b \, \mathbf{\hat{y}}-z_{7}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{28} & = & \left(\frac{1}{2} +x_{7}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{7}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{7}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{7}\right)c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{29} & = & x_{8} \, \mathbf{a}_{1} + y_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + y_{8}b \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{30} & = & \left(\frac{1}{2} - x_{8}\right) \, \mathbf{a}_{1}-y_{8} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{8}\right)a \, \mathbf{\hat{x}}-y_{8}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{8}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{31} & = & -x_{8} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{8}\right) \, \mathbf{a}_{2}-z_{8} \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{8}\right)b \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{32} & = & \left(\frac{1}{2} +x_{8}\right) \, \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} +x_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{8}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{8}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{33} & = & -x_{8} \, \mathbf{a}_{1}-y_{8} \, \mathbf{a}_{2}-z_{8} \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}}-y_{8}b \, \mathbf{\hat{y}}-z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{34} & = & \left(\frac{1}{2} +x_{8}\right) \, \mathbf{a}_{1} + y_{8} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{8}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{8}\right)a \, \mathbf{\hat{x}} + y_{8}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{8}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{35} & = & x_{8} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{8}\right) \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{8}\right)b \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{36} & = & \left(\frac{1}{2} - x_{8}\right) \, \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}-x_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{8}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{8}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl V} \\ \mathbf{B}_{37} & = & x_{9} \, \mathbf{a}_{1} + y_{9} \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & x_{9}a \, \mathbf{\hat{x}} + y_{9}b \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{38} & = & \left(\frac{1}{2} - x_{9}\right) \, \mathbf{a}_{1}-y_{9} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{9}\right)a \, \mathbf{\hat{x}}-y_{9}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{9}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{39} & = & -x_{9} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{9}\right) \, \mathbf{a}_{2}-z_{9} \, \mathbf{a}_{3} & = & -x_{9}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{9}\right)b \, \mathbf{\hat{y}}-z_{9}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{40} & = & \left(\frac{1}{2} +x_{9}\right) \, \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} +x_{9}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{9}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{9}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{41} & = & -x_{9} \, \mathbf{a}_{1}-y_{9} \, \mathbf{a}_{2}-z_{9} \, \mathbf{a}_{3} & = & -x_{9}a \, \mathbf{\hat{x}}-y_{9}b \, \mathbf{\hat{y}}-z_{9}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{42} & = & \left(\frac{1}{2} +x_{9}\right) \, \mathbf{a}_{1} + y_{9} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{9}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{9}\right)a \, \mathbf{\hat{x}} + y_{9}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{9}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{43} & = & x_{9} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{9}\right) \, \mathbf{a}_{2} + z_{9} \, \mathbf{a}_{3} & = & x_{9}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{9}\right)b \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \mathbf{B}_{44} & = & \left(\frac{1}{2} - x_{9}\right) \, \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}-x_{9}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{9}\right)b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{9}\right)c \, \mathbf{\hat{z}} & \left(8d\right) & \mbox{Cl VI} \\ \end{array} \]

References

Found in

Geometry files


Prototype Generator

aflow --proto=A8BCD_oP44_62_4c2d_c_c_c --params=

Species:

Running:

Output: