NaSb(OH)6 ($J1_{11}$) Structure : AB6C_tP32_86_d_3g_c

Picture of Structure; Click for Big Picture
Prototype : Na(OH)6Sb
AFLOW prototype label : AB6C_tP32_86_d_3g_c
Strukturbericht designation : $J1_{11}$
Pearson symbol : tP32
Space group number : 86
Space group symbol : $P4_{2}/n$
AFLOW prototype command : aflow --proto=AB6C_tP32_86_d_3g_c
--params=
$a$,$c/a$,$x_{3}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$,$x_{5}$,$y_{5}$,$z_{5}$


Other compounds with this structure

  • AgSb(OH)6

  • The atomic positions were originally determined using setting 1 of space group #86. We used FINDSYM to change the origin to setting 2.
  • The positions of the hydrogen atoms in the OH ion were not determined, so we only provide the positions of the oxygen atoms (labeled as OH).
  • Although the replacement of fluorine by OH does not affect the shape of the Sb–(F,OH)6 ions, it has a profound effect on the structure, as can be seen by looking at NaSbF6 and NaSbF4(OH)2 ($J1_{12}$).

Simple Tetragonal primitive vectors:

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

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(4c\right) & \mbox{Sb} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4c\right) & \mbox{Sb} \\ \mathbf{B}_{5} & = & \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4d\right) & \mbox{Na} \\ \mathbf{B}_{6} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4d\right) & \mbox{Na} \\ \mathbf{B}_{7} & = & \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{y}} & \left(4d\right) & \mbox{Na} \\ \mathbf{B}_{8} & = & \frac{1}{2} \, \mathbf{a}_{1} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(4d\right) & \mbox{Na} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + y_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{11} & = & -y_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{13} & = & -x_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-y_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{15} & = & y_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{16} & = & \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O I} \\ \mathbf{B}_{17} & = & x_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + y_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{18} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{19} & = & -y_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{20} & = & \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{21} & = & -x_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}}-y_{4}a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{22} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{23} & = & y_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{24} & = & \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O II} \\ \mathbf{B}_{25} & = & x_{5} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{27} & = & -y_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{28} & = & \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{29} & = & -x_{5} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{30} & = & \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{5}\right) \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{5}\right)a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{31} & = & y_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{5}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \mathbf{B}_{32} & = & \left(\frac{1}{2} - y_{5}\right) \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{5}\right)a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{O III} \\ \end{array} \]

References

  • T. Asai, Refinement of the Crystal Structure of Sodium Hexahydroxoantimonate(V), NaSb(OH)6, Bull. Chem. Soc. Jpn. 48, 2677–2679 (1975), doi:10.1246/bcsj.48.2677.

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Geometry files


Prototype Generator

aflow --proto=AB6C_tP32_86_d_3g_c --params=

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