AFLOW Prototype: ABC2_oP16_53_h_e_gh
Prototype | : | TaNiTe2 |
AFLOW prototype label | : | ABC2_oP16_53_h_e_gh |
Strukturbericht designation | : | None |
Pearson symbol | : | oP16 |
Space group number | : | 53 |
Space group symbol | : | $Pmna$ |
AFLOW prototype command | : | aflow --proto=ABC2_oP16_53_h_e_gh --params=$a$,$b/a$,$c/a$,$x_{1}$,$y_{2}$,$y_{3}$,$z_{3}$,$y_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & x_{1} \, \mathbf{a}_{1} & = & x_{1}a \, \mathbf{\hat{x}} & \left(4e\right) & \text{Ta} \\ \mathbf{B}_{2} & = & \left(\frac{1}{2} - x_{1}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{1}\right)a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Ta} \\ \mathbf{B}_{3} & = & -x_{1} \, \mathbf{a}_{1} & = & -x_{1}a \, \mathbf{\hat{x}} & \left(4e\right) & \text{Ta} \\ \mathbf{B}_{4} & = & \left(\frac{1}{2} +x_{1}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{1}\right)a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{Ta} \\ \mathbf{B}_{5} & = & \frac{1}{4} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + y_{2}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{Te I} \\ \mathbf{B}_{6} & = & \frac{1}{4} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}-y_{2}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{Te I} \\ \mathbf{B}_{7} & = & \frac{3}{4} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}}-y_{2}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{Te I} \\ \mathbf{B}_{8} & = & \frac{3}{4} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + y_{2}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{Te I} \\ \mathbf{B}_{9} & = & y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & y_{3}b \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Ni} \\ \mathbf{B}_{10} & = & \frac{1}{2} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Ni} \\ \mathbf{B}_{11} & = & \frac{1}{2} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{3}\right)c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Ni} \\ \mathbf{B}_{12} & = & -y_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -y_{3}b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Ni} \\ \mathbf{B}_{13} & = & y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & y_{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Te II} \\ \mathbf{B}_{14} & = & \frac{1}{2} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Te II} \\ \mathbf{B}_{15} & = & \frac{1}{2} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{4}\right)c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Te II} \\ \mathbf{B}_{16} & = & -y_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -y_{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{Te II} \\ \end{array} \]