HCl Structure: AB_oC8_36_a_a

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Prototype : HCl
AFLOW prototype label : AB_oC8_36_a_a
Strukturbericht designation : None
Pearson symbol : oC8
Space group number : 36
Space group symbol : $Cmc2_{1}$
AFLOW prototype command : aflow --proto=AB_oC8_36_a_a
--params=
$a$,$b/a$,$c/a$,$y_{1}$,$z_{1}$,$y_{2}$,$z_{2}$


  • The original reference gives the positions of the atoms in the Bb2_1m setting of space group #36. We have transformed this into the standard $Cmc2_1$ setting.

Base-centered Orthorhombic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & -y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3} & = & y_{1}b \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Cl} \\ \mathbf{B}_{2} & = & y_{1} \, \mathbf{a}_{1}-y_{1} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{1}\right) \, \mathbf{a}_{3} & = & -y_{1}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{1}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{Cl} \\ \mathbf{B}_{3} & = & -y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & y_{2}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{H} \\ \mathbf{B}_{4} & = & y_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & -y_{2}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(4a\right) & \mbox{H} \\ \end{array} \]

References

  • E. Sándor and R. F. C. Farrow, Crystal Structure of Solid Hydrogen Chloride and Deuterium Chloride, Nature 213, 171–172 (1967), doi:10.1038/213171a0.

Geometry files


Prototype Generator

aflow --proto=AB_oC8_36_a_a --params=

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