AFLOW Prototype: A2B5CD2_oI40_44_2c_abcde_d_e
Prototype | : | H2O5SiZn2 |
AFLOW prototype label | : | A2B5CD2_oI40_44_2c_abcde_d_e |
Strukturbericht designation | : | $S2_{2}$ |
Pearson symbol | : | oI40 |
Space group number | : | 44 |
Space group symbol | : | $Imm2$ |
AFLOW prototype command | : | aflow --proto=A2B5CD2_oI40_44_2c_abcde_d_e --params=$a$,$b/a$,$c/a$,$z_{1}$,$z_{2}$,$x_{3}$,$z_{3}$,$x_{4}$,$z_{4}$,$x_{5}$,$z_{5}$,$y_{6}$,$z_{6}$,$y_{7}$,$z_{7}$,$x_{8}$,$y_{8}$,$z_{8}$,$x_{9}$,$y_{9}$,$z_{9}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{1} + z_{1} \, \mathbf{a}_{2} & = & z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{O I} \\ \mathbf{B}_{2} & = & \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{O II} \\ \mathbf{B}_{3} & = & z_{3} \, \mathbf{a}_{1} + \left(x_{3}+z_{3}\right) \, \mathbf{a}_{2} + x_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{H I} \\ \mathbf{B}_{4} & = & z_{3} \, \mathbf{a}_{1} + \left(-x_{3}+z_{3}\right) \, \mathbf{a}_{2}-x_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{H I} \\ \mathbf{B}_{5} & = & z_{4} \, \mathbf{a}_{1} + \left(x_{4}+z_{4}\right) \, \mathbf{a}_{2} + x_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{H II} \\ \mathbf{B}_{6} & = & z_{4} \, \mathbf{a}_{1} + \left(-x_{4}+z_{4}\right) \, \mathbf{a}_{2}-x_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{H II} \\ \mathbf{B}_{7} & = & z_{5} \, \mathbf{a}_{1} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{2} + x_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{O III} \\ \mathbf{B}_{8} & = & z_{5} \, \mathbf{a}_{1} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{2}-x_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{O III} \\ \mathbf{B}_{9} & = & \left(y_{6}+z_{6}\right) \, \mathbf{a}_{1} + z_{6} \, \mathbf{a}_{2} + y_{6} \, \mathbf{a}_{3} & = & y_{6}b \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{O IV} \\ \mathbf{B}_{10} & = & \left(-y_{6}+z_{6}\right) \, \mathbf{a}_{1} + z_{6} \, \mathbf{a}_{2}-y_{6} \, \mathbf{a}_{3} & = & -y_{6}b \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{O IV} \\ \mathbf{B}_{11} & = & \left(y_{7}+z_{7}\right) \, \mathbf{a}_{1} + z_{7} \, \mathbf{a}_{2} + y_{7} \, \mathbf{a}_{3} & = & y_{7}b \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Si} \\ \mathbf{B}_{12} & = & \left(-y_{7}+z_{7}\right) \, \mathbf{a}_{1} + z_{7} \, \mathbf{a}_{2}-y_{7} \, \mathbf{a}_{3} & = & -y_{7}b \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(4d\right) & \text{Si} \\ \mathbf{B}_{13} & = & \left(y_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(x_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(x_{8}+y_{8}\right) \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + y_{8}b \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{O V} \\ \mathbf{B}_{14} & = & \left(-y_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(-x_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(-x_{8}-y_{8}\right) \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}}-y_{8}b \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{O V} \\ \mathbf{B}_{15} & = & \left(-y_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(x_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(x_{8}-y_{8}\right) \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}}-y_{8}b \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{O V} \\ \mathbf{B}_{16} & = & \left(y_{8}+z_{8}\right) \, \mathbf{a}_{1} + \left(-x_{8}+z_{8}\right) \, \mathbf{a}_{2} + \left(-x_{8}+y_{8}\right) \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}} + y_{8}b \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{O V} \\ \mathbf{B}_{17} & = & \left(y_{9}+z_{9}\right) \, \mathbf{a}_{1} + \left(x_{9}+z_{9}\right) \, \mathbf{a}_{2} + \left(x_{9}+y_{9}\right) \, \mathbf{a}_{3} & = & x_{9}a \, \mathbf{\hat{x}} + y_{9}b \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Zn} \\ \mathbf{B}_{18} & = & \left(-y_{9}+z_{9}\right) \, \mathbf{a}_{1} + \left(-x_{9}+z_{9}\right) \, \mathbf{a}_{2} + \left(-x_{9}-y_{9}\right) \, \mathbf{a}_{3} & = & -x_{9}a \, \mathbf{\hat{x}}-y_{9}b \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Zn} \\ \mathbf{B}_{19} & = & \left(-y_{9}+z_{9}\right) \, \mathbf{a}_{1} + \left(x_{9}+z_{9}\right) \, \mathbf{a}_{2} + \left(x_{9}-y_{9}\right) \, \mathbf{a}_{3} & = & x_{9}a \, \mathbf{\hat{x}}-y_{9}b \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Zn} \\ \mathbf{B}_{20} & = & \left(y_{9}+z_{9}\right) \, \mathbf{a}_{1} + \left(-x_{9}+z_{9}\right) \, \mathbf{a}_{2} + \left(-x_{9}+y_{9}\right) \, \mathbf{a}_{3} & = & -x_{9}a \, \mathbf{\hat{x}} + y_{9}b \, \mathbf{\hat{y}} + z_{9}c \, \mathbf{\hat{z}} & \left(8e\right) & \text{Zn} \\ \end{array} \]