AFLOW Prototype: A2BC2D_oC24_67_m_a_n_g
Prototype | : | H2(NH4)O2P |
AFLOW prototype label | : | A2BC2D_oC24_67_m_a_n_g |
Strukturbericht designation | : | $F5_{7}$ |
Pearson symbol | : | oC24 |
Space group number | : | 67 |
Space group symbol | : | $Cmma$ |
AFLOW prototype command | : | aflow --proto=A2BC2D_oC24_67_m_a_n_g --params=$a$,$b/a$,$c/a$,$z_{2}$,$y_{3}$,$z_{3}$,$x_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} & = & \frac{1}{4}a \, \mathbf{\hat{x}} & \left(4a\right) & \text{NH$_{4}$} \\ \mathbf{B}_{2} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} & = & \frac{3}{4}a \, \mathbf{\hat{x}} & \left(4a\right) & \text{NH$_{4}$} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{P} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4g\right) & \text{P} \\ \mathbf{B}_{5} & = & -y_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & y_{3}b \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8m\right) & \text{H} \\ \mathbf{B}_{6} & = & \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}}-y_{3}b \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8m\right) & \text{H} \\ \mathbf{B}_{7} & = & \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8m\right) & \text{H} \\ \mathbf{B}_{8} & = & y_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & -y_{3}b \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8m\right) & \text{H} \\ \mathbf{B}_{9} & = & \left(\frac{3}{4} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} +x_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8n\right) & \text{O} \\ \mathbf{B}_{10} & = & \left(\frac{3}{4} - x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{1}{4} - x_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8n\right) & \text{O} \\ \mathbf{B}_{11} & = & \left(\frac{1}{4} - x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{3}{4} - x_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2}-x_{4}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8n\right) & \text{O} \\ \mathbf{B}_{12} & = & \left(\frac{1}{4} +x_{4}\right) \, \mathbf{a}_{1} + \left(\frac{3}{4} +x_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8n\right) & \text{O} \\ \end{array} \]