AFLOW Prototype: A3B8_oC22_65_ag_bd2gh
Prototype | : | FNb3O7 |
AFLOW prototype label | : | A3B8_oC22_65_ag_bd2gh |
Strukturbericht designation | : | None |
Pearson symbol | : | oC22 |
Space group number | : | 65 |
Space group symbol | : | $Cmmm$ |
AFLOW prototype command | : | aflow --proto=A3B8_oC22_65_ag_bd2gh --params=$a$,$b/a$,$c/a$,$x_{4}$,$x_{5}$,$x_{6}$,$x_{7}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{Nb I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(2b\right) & \text{O I} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{O II} \\ \mathbf{B}_{4} & = & x_{4} \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} & = & x_{4}a \, \mathbf{\hat{x}} & \left(4g\right) & \text{Nb II} \\ \mathbf{B}_{5} & = & -x_{4} \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} & = & -x_{4}a \, \mathbf{\hat{x}} & \left(4g\right) & \text{Nb II} \\ \mathbf{B}_{6} & = & x_{5} \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} & = & x_{5}a \, \mathbf{\hat{x}} & \left(4g\right) & \text{O III} \\ \mathbf{B}_{7} & = & -x_{5} \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} & = & -x_{5}a \, \mathbf{\hat{x}} & \left(4g\right) & \text{O III} \\ \mathbf{B}_{8} & = & x_{6} \, \mathbf{a}_{1} + x_{6} \, \mathbf{a}_{2} & = & x_{6}a \, \mathbf{\hat{x}} & \left(4g\right) & \text{O IV} \\ \mathbf{B}_{9} & = & -x_{6} \, \mathbf{a}_{1}-x_{6} \, \mathbf{a}_{2} & = & -x_{6}a \, \mathbf{\hat{x}} & \left(4g\right) & \text{O IV} \\ \mathbf{B}_{10} & = & x_{7} \, \mathbf{a}_{1} + x_{7} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{O V} \\ \mathbf{B}_{11} & = & -x_{7} \, \mathbf{a}_{1}-x_{7} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{O V} \\ \end{array} \]