AFLOW Prototype: A3B11C6_tP40_100_ac_bc2d_cd
Prototype | : | Ce3Si6N11 |
AFLOW prototype label | : | A3B11C6_tP40_100_ac_bc2d_cd |
Strukturbericht designation | : | None |
Pearson symbol | : | tP40 |
Space group number | : | 100 |
Space group symbol | : | $P4bm$ |
AFLOW prototype command | : | aflow --proto=A3B11C6_tP40_100_ac_bc2d_cd --params=$a$,$c/a$,$z_{1}$,$z_{2}$,$x_{3}$,$z_{3}$,$x_{4}$,$z_{4}$,$x_{5}$,$z_{5}$,$x_{6}$,$y_{6}$,$z_{6}$,$x_{7}$,$y_{7}$,$z_{7}$,$x_{8}$,$y_{8}$,$z_{8}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & z_{1} \, \mathbf{a}_{3} & = & z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{Ce I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + z_{1} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}a \, \mathbf{\hat{y}} + z_{1}c \, \mathbf{\hat{z}} & \left(2a\right) & \text{Ce I} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{N I} \\ \mathbf{B}_{4} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{N I} \\ \mathbf{B}_{5} & = & x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ce II} \\ \mathbf{B}_{6} & = & -x_{3} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & -x_{3}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ce II} \\ \mathbf{B}_{7} & = & \left(\frac{1}{2} - x_{3}\right) \, \mathbf{a}_{1} + x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{3}\right)a \, \mathbf{\hat{x}} + x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ce II} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{3}\right) \, \mathbf{a}_{1}-x_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{3}\right)a \, \mathbf{\hat{x}}-x_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Ce II} \\ \mathbf{B}_{9} & = & x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{N II} \\ \mathbf{B}_{10} & = & -x_{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & -x_{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{N II} \\ \mathbf{B}_{11} & = & \left(\frac{1}{2} - x_{4}\right) \, \mathbf{a}_{1} + x_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{4}\right)a \, \mathbf{\hat{x}} + x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{N II} \\ \mathbf{B}_{12} & = & \left(\frac{1}{2} +x_{4}\right) \, \mathbf{a}_{1}-x_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{4}\right)a \, \mathbf{\hat{x}}-x_{4}a \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{N II} \\ \mathbf{B}_{13} & = & x_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{14} & = & -x_{5} \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{5}\right)a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{15} & = & \left(\frac{1}{2} - x_{5}\right) \, \mathbf{a}_{1} + x_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{5}\right)a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{16} & = & \left(\frac{1}{2} +x_{5}\right) \, \mathbf{a}_{1}-x_{5} \, \mathbf{a}_{2} + z_{5} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{5}\right)a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si I} \\ \mathbf{B}_{17} & = & x_{6} \, \mathbf{a}_{1} + y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & x_{6}a \, \mathbf{\hat{x}} + y_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{18} & = & -x_{6} \, \mathbf{a}_{1}-y_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & -x_{6}a \, \mathbf{\hat{x}}-y_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{19} & = & -y_{6} \, \mathbf{a}_{1} + x_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & -y_{6}a \, \mathbf{\hat{x}} + x_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{20} & = & y_{6} \, \mathbf{a}_{1}-x_{6} \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & y_{6}a \, \mathbf{\hat{x}}-x_{6}a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{21} & = & \left(\frac{1}{2} +x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{6}\right) \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{6}\right)a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{22} & = & \left(\frac{1}{2} - x_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{6}\right) \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{6}\right)a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{23} & = & \left(\frac{1}{2} - y_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{6}\right) \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{6}\right)a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{24} & = & \left(\frac{1}{2} +y_{6}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{6}\right) \, \mathbf{a}_{2} + z_{6} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{6}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{6}\right)a \, \mathbf{\hat{y}} + z_{6}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N III} \\ \mathbf{B}_{25} & = & x_{7} \, \mathbf{a}_{1} + y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & x_{7}a \, \mathbf{\hat{x}} + y_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{26} & = & -x_{7} \, \mathbf{a}_{1}-y_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & -x_{7}a \, \mathbf{\hat{x}}-y_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{27} & = & -y_{7} \, \mathbf{a}_{1} + x_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & -y_{7}a \, \mathbf{\hat{x}} + x_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{28} & = & y_{7} \, \mathbf{a}_{1}-x_{7} \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & y_{7}a \, \mathbf{\hat{x}}-x_{7}a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{29} & = & \left(\frac{1}{2} +x_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{7}\right) \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{7}\right)a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{30} & = & \left(\frac{1}{2} - x_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{7}\right) \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{7}\right)a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{31} & = & \left(\frac{1}{2} - y_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{7}\right) \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{7}\right)a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{32} & = & \left(\frac{1}{2} +y_{7}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{7}\right) \, \mathbf{a}_{2} + z_{7} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{7}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{7}\right)a \, \mathbf{\hat{y}} + z_{7}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{N IV} \\ \mathbf{B}_{33} & = & x_{8} \, \mathbf{a}_{1} + y_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & x_{8}a \, \mathbf{\hat{x}} + y_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{34} & = & -x_{8} \, \mathbf{a}_{1}-y_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & -x_{8}a \, \mathbf{\hat{x}}-y_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{35} & = & -y_{8} \, \mathbf{a}_{1} + x_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & -y_{8}a \, \mathbf{\hat{x}} + x_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{36} & = & y_{8} \, \mathbf{a}_{1}-x_{8} \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & y_{8}a \, \mathbf{\hat{x}}-x_{8}a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{37} & = & \left(\frac{1}{2} +x_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{8}\right) \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{8}\right)a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{38} & = & \left(\frac{1}{2} - x_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{8}\right) \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{8}\right)a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{39} & = & \left(\frac{1}{2} - y_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{8}\right) \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{8}\right)a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \mathbf{B}_{40} & = & \left(\frac{1}{2} +y_{8}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{8}\right) \, \mathbf{a}_{2} + z_{8} \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{8}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{8}\right)a \, \mathbf{\hat{y}} + z_{8}c \, \mathbf{\hat{z}} & \left(8d\right) & \text{Si II} \\ \end{array} \]