AFLOW Prototype: AB2CD_oC20_63_b_f_c_c
Prototype | : | CFe2SiTh |
AFLOW prototype label | : | AB2CD_oC20_63_b_f_c_c |
Strukturbericht designation | : | None |
Pearson symbol | : | oC20 |
Space group number | : | 63 |
Space group symbol | : | $Cmcm$ |
AFLOW prototype command | : | aflow --proto=AB2CD_oC20_63_b_f_c_c --params=$a$,$b/a$,$c/a$,$y_{2}$,$y_{3}$,$y_{4}$,$z_{4}$ |
filledversion of the Re3B structure, with carbon atoms sitting in the ($4b$) Wyckoff positions. This is the quaternary version of the structure. The ternary version, where one of the ($4c$) Wyckoff positions has the same atom type as the ($8f$) site, is designated the V3AsC structure.
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}a \, \mathbf{\hat{x}} & \left(4b\right) & \text{C} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(4b\right) & \text{C} \\ \mathbf{B}_{3} & = & -y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & y_{2}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si} \\ \mathbf{B}_{4} & = & y_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & -y_{2}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Si} \\ \mathbf{B}_{5} & = & -y_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & y_{3}b \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Th} \\ \mathbf{B}_{6} & = & y_{3} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & -y_{3}b \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(4c\right) & \text{Th} \\ \mathbf{B}_{7} & = & -y_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & y_{4}b \, \mathbf{\hat{y}} + z_{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Fe} \\ \mathbf{B}_{8} & = & y_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{4}\right) \, \mathbf{a}_{3} & = & -y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{4}\right)c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Fe} \\ \mathbf{B}_{9} & = & -y_{4} \, \mathbf{a}_{1} + y_{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{4}\right) \, \mathbf{a}_{3} & = & y_{4}b \, \mathbf{\hat{y}} + \left(\frac{1}{2}-z_{4}\right)c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Fe} \\ \mathbf{B}_{10} & = & y_{4} \, \mathbf{a}_{1}-y_{4} \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & -y_{4}b \, \mathbf{\hat{y}}-z_{4}c \, \mathbf{\hat{z}} & \left(8f\right) & \text{Fe} \\ \end{array} \]