Zn(BrO3)2·6H2O ($J1_{10}$) Structure : A2B6C6D_cP60_205_c_d_d_a

Picture of Structure; Click for Big Picture
Prototype : Br2(H2O)6O6Zn
AFLOW prototype label : A2B6C6D_cP60_205_c_d_d_a
Strukturbericht designation : $J1_{10}$
Pearson symbol : cP60
Space group number : 205
Space group symbol : $Pa\bar{3}$
AFLOW prototype command : aflow --proto=A2B6C6D_cP60_205_c_d_d_a
--params=
$a$,$x_{2}$,$x_{3}$,$y_{3}$,$z_{3}$,$x_{4}$,$y_{4}$,$z_{4}$


  • The positions of the hydrogen atoms in the water molecules were not determined, so we only provide the positions of the oxygen atom (labeled as H2O).

Simple Cubic primitive vectors:

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

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(4a\right) & \mbox{Zn} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Zn} \\ \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}a \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Zn} \\ \mathbf{B}_{4} & = & \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(4a\right) & \mbox{Zn} \\ \mathbf{B}_{5} & = & x_{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + x_{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}} + x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{6} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{7} & = & -x_{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{2}-x_{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{9} & = & -x_{2} \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2}-x_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}}-x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{11} & = & x_{2} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{2} + x_{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{y}} + x_{2}a \, \mathbf{\hat{z}} & \left(8c\right) & \mbox{Br} \\ \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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{14} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{x}}-y_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{15} & = & -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} & = & -x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{16} & = & \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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{17} & = & z_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + y_{3} \, \mathbf{a}_{3} & = & z_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + y_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{18} & = & \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2}-y_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{y}}-y_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{19} & = & \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-z_{3}\right)a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{20} & = & -z_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{3} & = & -z_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{21} & = & y_{3} \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}} + z_{3}a \, \mathbf{\hat{y}} + x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{22} & = & -y_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +z_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{23} & = & \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-z_{3}\right)a \, \mathbf{\hat{y}}-x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{24} & = & \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{x}}-z_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{25} & = & -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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{26} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + y_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{27} & = & 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} & = & x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{28} & = & \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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{29} & = & -z_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2}-y_{3} \, \mathbf{a}_{3} & = & -z_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}}-y_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{30} & = & \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + y_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-z_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + y_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{31} & = & \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{3}\right)a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{32} & = & z_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{3} & = & z_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{33} & = & -y_{3} \, \mathbf{a}_{1}-z_{3} \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}}-z_{3}a \, \mathbf{\hat{y}}-x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{34} & = & y_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-z_{3}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{35} & = & \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{3}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +z_{3}\right)a \, \mathbf{\hat{y}} + x_{3}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{36} & = & \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{1} + z_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{x}} + z_{3}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{37} & = & 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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{38} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1}-y_{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}}-y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{39} & = & -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} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{40} & = & \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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{41} & = & z_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + y_{4} \, \mathbf{a}_{3} & = & z_{4}a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + y_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{42} & = & \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2}-y_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{y}}-y_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{43} & = & \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-z_{4}\right)a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{44} & = & -z_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{3} & = & -z_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{45} & = & y_{4} \, \mathbf{a}_{1} + z_{4} \, \mathbf{a}_{2} + x_{4} \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{46} & = & -y_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{47} & = & \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{2}-x_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-z_{4}\right)a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{48} & = & \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{1}-z_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{49} & = & -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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{50} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1} + y_{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}} + y_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{51} & = & 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} & = & x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{52} & = & \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}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{53} & = & -z_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2}-y_{4} \, \mathbf{a}_{3} & = & -z_{4}a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}}-y_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{54} & = & \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + y_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-z_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + y_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{55} & = & \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{56} & = & z_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{3} & = & z_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{57} & = & -y_{4} \, \mathbf{a}_{1}-z_{4} \, \mathbf{a}_{2}-x_{4} \, \mathbf{a}_{3} & = & -y_{4}a \, \mathbf{\hat{x}}-z_{4}a \, \mathbf{\hat{y}}-x_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{58} & = & y_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{3} & = & y_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2}-z_{4}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{59} & = & \left(\frac{1}{2} - y_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{2} + x_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-y_{4}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +z_{4}\right)a \, \mathbf{\hat{y}} + x_{4}a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \mathbf{B}_{60} & = & \left(\frac{1}{2} +y_{4}\right) \, \mathbf{a}_{1} + z_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{4}\right)a \, \mathbf{\hat{x}} + z_{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{z}} & \left(24d\right) & \mbox{O} \\ \end{array} \]

References

  • S. H. Yü and C. A. Beevers, The Crystal Structure of Zinc Bromate Hexahydrate [Zn(BrO3)2 · 6H2O], Zeitschrift für Kristallographie – Crystalline Materials 95, 426–434 (1936), doi:10.1524/zkri.1936.95.1.426.

Found in

  • C. Gottfried, ed., Strukturbericht Band IV 1936 (Akademische Verlagsgesellschaft M. B. H., Leipzig, 1938).

Geometry files


Prototype Generator

aflow --proto=A2B6C6D_cP60_205_c_d_d_a --params=

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