Zr$_{6}$Cl$_{15}$ (Zr$_{2}$Cl$_{5}$) Structure: A5B2_cI336_230_g2h_h-001

Picture of Structure; Click for Big Picture
Prototype Cl$_{5}$Zr$_{2}$
AFLOW prototype label A5B2_cI336_230_g2h_h-001
ICSD 36425
CCDC 1608156
Pearson symbol cI336
Space group number 230
Space group symbol $Ia\overline{3}d$
AFLOW prototype command aflow --proto=A5B2_cI336_230_g2h_h-001
--params=$a, \allowbreak y_{1}, \allowbreak x_{2}, \allowbreak y_{2}, \allowbreak z_{2}, \allowbreak x_{3}, \allowbreak y_{3}, \allowbreak z_{3}, \allowbreak x_{4}, \allowbreak y_{4}, \allowbreak z_{4}$

Other compounds with this structure

Ta$_{6}$Br$_{15}$,  Ta$_{6}$Cl$_{15}$,  Ta$_{6}$Zr$_{15}$


  • This is a body-centered cubic ordering of Zr$_{6}$Cl$_{15}$ molecules.
  • This structure was first determined by (Corbett, 1978) and reprinted in (Corbett, 1982). The ICSD entry lists the earlier paper as the reference.
  • The ICSD using Ta$_{6}$Cl$_{15}$ as the prototype.

\[ \begin{array}{ccc} \mathbf{a_{1}}&=&- \frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{2}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}- \frac{1}{2}a \,\mathbf{\hat{y}}+\frac{1}{2}a \,\mathbf{\hat{z}}\\\mathbf{a_{3}}&=&\frac{1}{2}a \,\mathbf{\hat{x}}+\frac{1}{2}a \,\mathbf{\hat{y}}- \frac{1}{2}a \,\mathbf{\hat{z}} \end{array}\]

Basis vectors

Lattice coordinates Cartesian coordinates Wyckoff position Atom type
$\mathbf{B_{1}}$ = $\frac{1}{4} \, \mathbf{a}_{1}- \left(y_{1} - \frac{3}{8}\right) \, \mathbf{a}_{2}+\left(y_{1} + \frac{1}{8}\right) \, \mathbf{a}_{3}$ = $\frac{1}{8}a \,\mathbf{\hat{x}}+a y_{1} \,\mathbf{\hat{y}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{2}}$ = $- \left(2 y_{1} - \frac{3}{4}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{1}{8}\right) \, \mathbf{a}_{2}- \left(y_{1} - \frac{3}{8}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{8}a \,\mathbf{\hat{x}}- a \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{3}}$ = $\left(2 y_{1} + \frac{3}{4}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{1}{8}\right) \, \mathbf{a}_{2}+\left(y_{1} + \frac{3}{8}\right) \, \mathbf{a}_{3}$ = $- \frac{1}{8}a \,\mathbf{\hat{x}}+a \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{4}}$ = $\frac{1}{4} \, \mathbf{a}_{1}+\left(y_{1} + \frac{3}{8}\right) \, \mathbf{a}_{2}- \left(y_{1} - \frac{1}{8}\right) \, \mathbf{a}_{3}$ = $\frac{1}{8}a \,\mathbf{\hat{x}}- a y_{1} \,\mathbf{\hat{y}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{5}}$ = $\left(y_{1} + \frac{1}{8}\right) \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}- \left(y_{1} - \frac{3}{8}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}+a y_{1} \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{6}}$ = $- \left(y_{1} - \frac{3}{8}\right) \, \mathbf{a}_{1}- \left(2 y_{1} - \frac{3}{4}\right) \, \mathbf{a}_{2}- \left(y_{1} - \frac{1}{8}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- \frac{1}{8}a \,\mathbf{\hat{y}}- a \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{7}}$ = $\left(y_{1} + \frac{3}{8}\right) \, \mathbf{a}_{1}+\left(2 y_{1} + \frac{3}{4}\right) \, \mathbf{a}_{2}+\left(y_{1} + \frac{1}{8}\right) \, \mathbf{a}_{3}$ = $a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- \frac{1}{8}a \,\mathbf{\hat{y}}+a \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{8}}$ = $- \left(y_{1} - \frac{1}{8}\right) \, \mathbf{a}_{1}+\frac{1}{4} \, \mathbf{a}_{2}+\left(y_{1} + \frac{3}{8}\right) \, \mathbf{a}_{3}$ = $a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{1}{8}a \,\mathbf{\hat{y}}- a y_{1} \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{9}}$ = $- \left(y_{1} - \frac{3}{8}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{1}{8}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $a y_{1} \,\mathbf{\hat{x}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{10}}$ = $- \left(y_{1} - \frac{1}{8}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{3}{8}\right) \, \mathbf{a}_{2}- \left(2 y_{1} - \frac{3}{4}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- \frac{1}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{11}}$ = $\left(y_{1} + \frac{1}{8}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{3}{8}\right) \, \mathbf{a}_{2}+\left(2 y_{1} + \frac{3}{4}\right) \, \mathbf{a}_{3}$ = $a \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- \frac{1}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{12}}$ = $\left(y_{1} + \frac{3}{8}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{1}{8}\right) \, \mathbf{a}_{2}+\frac{1}{4} \, \mathbf{a}_{3}$ = $- a y_{1} \,\mathbf{\hat{x}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{1}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{13}}$ = $\frac{3}{4} \, \mathbf{a}_{1}+\left(y_{1} + \frac{5}{8}\right) \, \mathbf{a}_{2}- \left(y_{1} - \frac{7}{8}\right) \, \mathbf{a}_{3}$ = $\frac{3}{8}a \,\mathbf{\hat{x}}- a \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{14}}$ = $\left(2 y_{1} + \frac{1}{4}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{7}{8}\right) \, \mathbf{a}_{2}+\left(y_{1} + \frac{5}{8}\right) \, \mathbf{a}_{3}$ = $\frac{5}{8}a \,\mathbf{\hat{x}}+a y_{1} \,\mathbf{\hat{y}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{15}}$ = $- \left(2 y_{1} - \frac{1}{4}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{7}{8}\right) \, \mathbf{a}_{2}- \left(y_{1} - \frac{5}{8}\right) \, \mathbf{a}_{3}$ = $\frac{5}{8}a \,\mathbf{\hat{x}}- a y_{1} \,\mathbf{\hat{y}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{16}}$ = $\frac{3}{4} \, \mathbf{a}_{1}- \left(y_{1} - \frac{5}{8}\right) \, \mathbf{a}_{2}+\left(y_{1} + \frac{7}{8}\right) \, \mathbf{a}_{3}$ = $\frac{3}{8}a \,\mathbf{\hat{x}}+a \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{17}}$ = $- \left(y_{1} - \frac{7}{8}\right) \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}+\left(y_{1} + \frac{5}{8}\right) \, \mathbf{a}_{3}$ = $a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}- a \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{18}}$ = $\left(y_{1} + \frac{5}{8}\right) \, \mathbf{a}_{1}+\left(2 y_{1} + \frac{1}{4}\right) \, \mathbf{a}_{2}+\left(y_{1} + \frac{7}{8}\right) \, \mathbf{a}_{3}$ = $a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}+a y_{1} \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{19}}$ = $- \left(y_{1} - \frac{5}{8}\right) \, \mathbf{a}_{1}- \left(2 y_{1} - \frac{1}{4}\right) \, \mathbf{a}_{2}- \left(y_{1} - \frac{7}{8}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{5}{8}a \,\mathbf{\hat{y}}- a y_{1} \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{20}}$ = $\left(y_{1} + \frac{7}{8}\right) \, \mathbf{a}_{1}+\frac{3}{4} \, \mathbf{a}_{2}- \left(y_{1} - \frac{5}{8}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+\frac{3}{8}a \,\mathbf{\hat{y}}+a \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{21}}$ = $\left(y_{1} + \frac{5}{8}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{7}{8}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $- a \left(y_{1} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{22}}$ = $\left(y_{1} + \frac{7}{8}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{5}{8}\right) \, \mathbf{a}_{2}+\left(2 y_{1} + \frac{1}{4}\right) \, \mathbf{a}_{3}$ = $a y_{1} \,\mathbf{\hat{x}}+a \left(y_{1} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{23}}$ = $- \left(y_{1} - \frac{7}{8}\right) \, \mathbf{a}_{1}- \left(y_{1} - \frac{5}{8}\right) \, \mathbf{a}_{2}- \left(2 y_{1} - \frac{1}{4}\right) \, \mathbf{a}_{3}$ = $- a y_{1} \,\mathbf{\hat{x}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{5}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{24}}$ = $- \left(y_{1} - \frac{5}{8}\right) \, \mathbf{a}_{1}+\left(y_{1} + \frac{7}{8}\right) \, \mathbf{a}_{2}+\frac{3}{4} \, \mathbf{a}_{3}$ = $a \left(y_{1} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a \left(y_{1} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+\frac{3}{8}a \,\mathbf{\hat{z}}$ (48g) Cl I
$\mathbf{B_{25}}$ = $\left(y_{2} + z_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + z_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ = $a x_{2} \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}+a z_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{26}}$ = $\left(- y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - z_{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{2} \,\mathbf{\hat{x}}- a \left(y_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{27}}$ = $\left(y_{2} - z_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}- a z_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{28}}$ = $- \left(y_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ = $a x_{2} \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}- a \left(z_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{29}}$ = $\left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}+\left(y_{2} + z_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $a z_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a y_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{30}}$ = $- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $a z_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}- a \left(y_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{31}}$ = $\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{2} - z_{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a z_{2} \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{32}}$ = $\left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}- \left(y_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}- a y_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{33}}$ = $\left(x_{2} + z_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}+\left(y_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $a y_{2} \,\mathbf{\hat{x}}+a z_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{34}}$ = $- \left(x_{2} - z_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{2} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{2} \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{35}}$ = $- \left(x_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $a y_{2} \,\mathbf{\hat{x}}- a z_{2} \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{36}}$ = $\left(x_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}- \left(y_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a y_{2} \,\mathbf{\hat{x}}- a \left(z_{2} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{37}}$ = $\left(x_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{2} - z_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{38}}$ = $- \left(x_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{39}}$ = $- \left(x_{2} - z_{2}\right) \, \mathbf{a}_{1}+\left(y_{2} + z_{2}\right) \, \mathbf{a}_{2}+\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{40}}$ = $\left(x_{2} + z_{2}\right) \, \mathbf{a}_{1}+\left(- y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{41}}$ = $\left(- y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{42}}$ = $\left(y_{2} + z_{2}\right) \, \mathbf{a}_{1}+\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{43}}$ = $- \left(y_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{44}}$ = $\left(y_{2} - z_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{45}}$ = $\left(- x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - z_{2}\right) \, \mathbf{a}_{2}+\left(y_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{46}}$ = $\left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + z_{2}\right) \, \mathbf{a}_{2}+\left(- y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{47}}$ = $\left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{48}}$ = $- \left(x_{2} + y_{2} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{2} + z_{2} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{49}}$ = $- \left(y_{2} + z_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + z_{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ = $- a x_{2} \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}- a z_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{50}}$ = $\left(y_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - z_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{2} \,\mathbf{\hat{x}}+a \left(y_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{51}}$ = $- \left(y_{2} - z_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{2} \,\mathbf{\hat{y}}+a z_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{52}}$ = $\left(y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ = $- a x_{2} \,\mathbf{\hat{x}}+a y_{2} \,\mathbf{\hat{y}}+a \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{53}}$ = $- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}- \left(y_{2} + z_{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $- a z_{2} \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}- a y_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{54}}$ = $\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $- a z_{2} \,\mathbf{\hat{x}}+a x_{2} \,\mathbf{\hat{y}}+a \left(y_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{55}}$ = $\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{2} - z_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a z_{2} \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{56}}$ = $- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}+\left(y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{2} \,\mathbf{\hat{y}}+a y_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{57}}$ = $- \left(x_{2} + z_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}- \left(y_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $- a y_{2} \,\mathbf{\hat{x}}- a z_{2} \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{58}}$ = $\left(x_{2} - z_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{2} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{2} \,\mathbf{\hat{y}}+a x_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{59}}$ = $\left(x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $- a y_{2} \,\mathbf{\hat{x}}+a z_{2} \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{60}}$ = $\left(- x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}+\left(y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a y_{2} \,\mathbf{\hat{x}}+a \left(z_{2} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{2} \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{61}}$ = $\left(- x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{2} - z_{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{62}}$ = $\left(x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{63}}$ = $\left(x_{2} - z_{2}\right) \, \mathbf{a}_{1}- \left(y_{2} + z_{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{64}}$ = $- \left(x_{2} + z_{2}\right) \, \mathbf{a}_{1}+\left(y_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{65}}$ = $\left(y_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{2}- \left(x_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{66}}$ = $- \left(y_{2} + z_{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{67}}$ = $\left(y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{68}}$ = $- \left(y_{2} - z_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{2}+\left(- x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{69}}$ = $\left(x_{2} - y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} - z_{2}\right) \, \mathbf{a}_{2}- \left(y_{2} + z_{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{2} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{70}}$ = $- \left(x_{2} - y_{2}\right) \, \mathbf{a}_{1}- \left(x_{2} + z_{2}\right) \, \mathbf{a}_{2}+\left(y_{2} - z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{2} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{71}}$ = $- \left(x_{2} + y_{2}\right) \, \mathbf{a}_{1}+\left(- x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{2} - z_{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{2} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{72}}$ = $\left(x_{2} + y_{2} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{2} + z_{2} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{2} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{2} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{2} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl II
$\mathbf{B_{73}}$ = $\left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ = $a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}+a z_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{74}}$ = $\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{3} \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{75}}$ = $\left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}- a z_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{76}}$ = $- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ = $a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{77}}$ = $\left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $a z_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{78}}$ = $- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $a z_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{79}}$ = $\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a z_{3} \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{80}}$ = $\left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{81}}$ = $\left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $a y_{3} \,\mathbf{\hat{x}}+a z_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{82}}$ = $- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{3} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{83}}$ = $- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $a y_{3} \,\mathbf{\hat{x}}- a z_{3} \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{84}}$ = $\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a y_{3} \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{85}}$ = $\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ = $a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{86}}$ = $- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{87}}$ = $- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{88}}$ = $\left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{89}}$ = $\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{90}}$ = $\left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{91}}$ = $- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{92}}$ = $\left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{93}}$ = $\left(- x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{94}}$ = $\left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(- y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{95}}$ = $\left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{96}}$ = $- \left(x_{3} + y_{3} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{97}}$ = $- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ = $- a x_{3} \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}- a z_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{98}}$ = $\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{3} \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{99}}$ = $- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{3} \,\mathbf{\hat{y}}+a z_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{100}}$ = $\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ = $- a x_{3} \,\mathbf{\hat{x}}+a y_{3} \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{101}}$ = $- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $- a z_{3} \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{102}}$ = $\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $- a z_{3} \,\mathbf{\hat{x}}+a x_{3} \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{103}}$ = $\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a z_{3} \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{104}}$ = $- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{3} \,\mathbf{\hat{y}}+a y_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{105}}$ = $- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $- a y_{3} \,\mathbf{\hat{x}}- a z_{3} \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{106}}$ = $\left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{3} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{3} \,\mathbf{\hat{y}}+a x_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{107}}$ = $\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $- a y_{3} \,\mathbf{\hat{x}}+a z_{3} \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{108}}$ = $\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a y_{3} \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{3} \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{109}}$ = $\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{110}}$ = $\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{111}}$ = $\left(x_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{112}}$ = $- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{3}$ = $a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{113}}$ = $\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{2}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{114}}$ = $- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{1}+\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{115}}$ = $\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{116}}$ = $- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{2}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{117}}$ = $\left(x_{3} - y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} - z_{3}\right) \, \mathbf{a}_{2}- \left(y_{3} + z_{3}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{118}}$ = $- \left(x_{3} - y_{3}\right) \, \mathbf{a}_{1}- \left(x_{3} + z_{3}\right) \, \mathbf{a}_{2}+\left(y_{3} - z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{3} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{119}}$ = $- \left(x_{3} + y_{3}\right) \, \mathbf{a}_{1}+\left(- x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{3} - z_{3}\right) \, \mathbf{a}_{3}$ = $a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{3} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{120}}$ = $\left(x_{3} + y_{3} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{3} + z_{3} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{3} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{3} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{3} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Cl III
$\mathbf{B_{121}}$ = $\left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{122}}$ = $\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{123}}$ = $\left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{124}}$ = $- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{125}}$ = $\left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $a z_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{126}}$ = $- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $a z_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{127}}$ = $\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a z_{4} \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{128}}$ = $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{129}}$ = $\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $a y_{4} \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{130}}$ = $- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{4} - \frac{1}{2}\right) \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{131}}$ = $- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $a y_{4} \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{132}}$ = $\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a y_{4} \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{2}\right) \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{133}}$ = $\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ = $a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{134}}$ = $- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{135}}$ = $- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{136}}$ = $\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{137}}$ = $\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{138}}$ = $\left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{139}}$ = $- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{140}}$ = $\left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{141}}$ = $\left(- x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{142}}$ = $\left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(- y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{143}}$ = $\left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{144}}$ = $- \left(x_{4} + y_{4} - \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4} - \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{145}}$ = $- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{146}}$ = $\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a x_{4} \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a z_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{147}}$ = $- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a y_{4} \,\mathbf{\hat{y}}+a z_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{148}}$ = $\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ = $- a x_{4} \,\mathbf{\hat{x}}+a y_{4} \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{149}}$ = $- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $- a z_{4} \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{150}}$ = $\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $- a z_{4} \,\mathbf{\hat{x}}+a x_{4} \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{151}}$ = $\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a z_{4} \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a y_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{152}}$ = $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a x_{4} \,\mathbf{\hat{y}}+a y_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{153}}$ = $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $- a y_{4} \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{154}}$ = $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{4} + \frac{1}{2}\right) \,\mathbf{\hat{x}}- a z_{4} \,\mathbf{\hat{y}}+a x_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{155}}$ = $\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $- a y_{4} \,\mathbf{\hat{x}}+a z_{4} \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{2}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{156}}$ = $\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a y_{4} \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{2}\right) \,\mathbf{\hat{y}}- a x_{4} \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{157}}$ = $\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{158}}$ = $\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{159}}$ = $\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{160}}$ = $- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{3}$ = $a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{161}}$ = $\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{2}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{162}}$ = $- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{1}+\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{163}}$ = $\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{164}}$ = $- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{2}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{165}}$ = $\left(x_{4} - y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}- \left(y_{4} + z_{4}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} - \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{166}}$ = $- \left(x_{4} - y_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+\left(y_{4} - z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $- a \left(z_{4} - \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{167}}$ = $- \left(x_{4} + y_{4}\right) \, \mathbf{a}_{1}+\left(- x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}- \left(y_{4} - z_{4}\right) \, \mathbf{a}_{3}$ = $a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}- a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}- a \left(x_{4} - \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I
$\mathbf{B_{168}}$ = $\left(x_{4} + y_{4} + \frac{1}{2}\right) \, \mathbf{a}_{1}+\left(x_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{2}+\left(y_{4} + z_{4} + \frac{1}{2}\right) \, \mathbf{a}_{3}$ = $a \left(z_{4} + \frac{1}{4}\right) \,\mathbf{\hat{x}}+a \left(y_{4} + \frac{1}{4}\right) \,\mathbf{\hat{y}}+a \left(x_{4} + \frac{1}{4}\right) \,\mathbf{\hat{z}}$ (96h) Zr I

References

  • J. D. Corbett, K. R. Poeppelmeier, and R. L. Daake, Synthesis and structures of Sc$_{7}$Cl$_{12}$ and Zr$_{6}$Cl$_{15}$, Z. Anorganische und Allgemeine Chemie 491, 51–59 (1982), doi:10.1002/zaac.19824910108.
  • J. D. Corbett, R. L. Daake, K. R. Poeppelmeier, and D. H. Guthrie, Metal-metal bonded clusters in transition metal Groups 3 and 4. Synthesis and structure of three M$_{6}$X$_{12}$-type clusters for scandium and zirconium, J. Am. Chem. Soc. 100, 652–654 (1978), doi:10.1021/ja00470a062.

First cited in

  • N. Anderson, M. J. Mehl, H. Eckert, S. Divilov, X. Campilongo, S. Curtarolo, The AFLOW Library of Crystallographic Prototypes: Part 5. Submitted to Computational Materials Science (2026).

Geometry files


Prototype Generator

aflow --proto=A5B2_cI336_230_g2h_h --params=$a,y_{1},x_{2},y_{2},z_{2},x_{3},y_{3},z_{3},x_{4},y_{4},z_{4}$

Species:

Running:

Output: