$E6_{2}$ [SrO2(H2O)8] (possibly obsolete) Structure : A8B2C_tP11_123_r_h_a

Picture of Structure; Click for Big Picture
Prototype : (H2O)8SrO2
AFLOW prototype label : A8B2C_tP11_123_r_h_a
Strukturbericht designation : $E6_{2}$
Pearson symbol : tP11
Space group number : 123
Space group symbol : $P4/mmm$
AFLOW prototype command : aflow --proto=A8B2C_tP11_123_r_h_a
--params=
$a$,$c/a$,$z_{2}$,$x_{3}$,$z_{3}$


Other compounds with this structure

  • CaO2(H2O)8 and BrO2(H2O)8

  • This structure was designated $E6_{2}$ by (Hermann, 1937). (Shineman, 1951) suggest that this should be replaced by their CaO2(H2O)8 structure.
  • The positions of the hydrogen atoms in the water molecule were not determined, so we only provide the positions of the oyxgen atoms (labeled as H2O).

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(1a\right) & \mbox{Sr} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2h\right) & \mbox{O} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(2h\right) & \mbox{O} \\ \mathbf{B}_{4} & = & x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{5} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{7} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{8} & = & -x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{9} & = & x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{10} & = & x_{3} \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \mathbf{B}_{11} & = & -x_{3} \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8r\right) & \mbox{H$_{2}$O} \\ \end{array} \]

References

  • G. Natta, Struttura degli idrossidi ed idrati – Nota IV. Sul perossido di stronzio ottoidrato, Gazz. Chim. Ital. 62, 444 (1932).

Found in

Geometry files


Prototype Generator

aflow --proto=A8B2C_tP11_123_r_h_a --params=

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