AFLOW Prototype: A2BC_oP16_53_eh_ab_g
Prototype | : | F2H5N |
AFLOW prototype label | : | A2BC_oP16_53_eh_ab_g |
Strukturbericht designation | : | $F5_{8}$ |
Pearson symbol | : | oP16 |
Space group number | : | 53 |
Space group symbol | : | $Pmna$ |
AFLOW prototype command | : | aflow --proto=A2BC_oP16_53_eh_ab_g --params=$a$,$b/a$,$c/a$,$x_{3}$,$y_{4}$,$y_{5}$,$z_{5}$ |
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{H I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{H I} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(2b\right) & \text{H II} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{H II} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1} & = & x_{3}a \, \mathbf{\hat{x}} & \left(4e\right) & \text{F I} \\ \mathbf{B}_{6} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{3}\right)a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{F I} \\ \mathbf{B}_{7} & = & -x_{3} \, \mathbf{a}_{1} & = & -x_{3}a \, \mathbf{\hat{x}} & \left(4e\right) & \text{F I} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4e\right) & \text{F I} \\ \mathbf{B}_{9} & = & \frac{1}{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{NH$_{4}$} \\ \mathbf{B}_{10} & = & \frac{1}{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{NH$_{4}$} \\ \mathbf{B}_{11} & = & \frac{3}{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}}-y_{4}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{NH$_{4}$} \\ \mathbf{B}_{12} & = & \frac{3}{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{NH$_{4}$} \\ \mathbf{B}_{13} & = & y_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & y_{5}b \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{F II} \\ \mathbf{B}_{14} & = & \frac{1}{2} \, \mathbf{a}_{1}-y_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{5}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-y_{5}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{5}\right)c \, \mathbf{\hat{z}} & \left(4h\right) & \text{F II} \\ \mathbf{B}_{15} & = & \frac{1}{2} \, \mathbf{a}_{1} + y_{5} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{5}\right) \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + y_{5}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{5}\right)c \, \mathbf{\hat{z}} & \left(4h\right) & \text{F II} \\ \mathbf{B}_{16} & = & -y_{5} \, \mathbf{a}_{2}-z_{5} \, \mathbf{a}_{3} & = & -y_{5}b \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(4h\right) & \text{F II} \\ \end{array} \]