AFLOW Prototype: A2BC4D_tI16_121_d_a_i_b
Prototype | : | Cu2FeS4Sn |
AFLOW prototype label | : | A2BC4D_tI16_121_d_a_i_b |
Strukturbericht designation | : | $H2_{6}$ |
Pearson symbol | : | tI16 |
Space group number | : | 121 |
Space group symbol | : | $\text{I}\bar{4}\text{2m}$ |
AFLOW prototype command | : | aflow --proto=A2BC4D_tI16_121_d_a_i_b --params=$a$,$c/a$,$x_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B_1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \mathbf{\hat{x}} + 0 \mathbf{\hat{y}} + 0 \mathbf{\hat{z}} & \left(2a\right) & \text{Fe} \\ \mathbf{B_2} & = &\frac12 \, \mathbf{a}_{1}+ \frac12 \, \mathbf{a}_{2}& = &+ \frac12 \, c \, \mathbf{\hat{z}}& \left(2b\right) & \text{Sn} \\ \mathbf{B_3} & = &\frac34 \, \mathbf{a}_{1}+ \frac14 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{y}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(4d\right) & \text{Cu} \\ \mathbf{B_4} & = &\frac14 \, \mathbf{a}_{1}+ \frac34 \, \mathbf{a}_{2}+ \frac12 \, \mathbf{a}_{3}& = &\frac12 \, a \, \mathbf{\hat{x}}+ \frac14 \, c \, \mathbf{\hat{z}}& \left(4d\right) & \text{Cu} \\ \mathbf{B_5} & = &\left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+ \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}+ 2 x_{4} \, \mathbf{a}_{3}& = &x_{4} \, a \, \mathbf{\hat{x}}+ x_{4} \, a \, \mathbf{\hat{y}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(8i\right) & \text{S} \\ \mathbf{B_6} & = &\left(z_{4} - x_{4}\right) \, \mathbf{a}_{1}+ \left(z_{4} - x_{4}\right) \, \mathbf{a}_{2}- 2 x_{4} \, \mathbf{a}_{3}& = &- x_{4} \, a \, \mathbf{\hat{x}}- x_{4} \, a \, \mathbf{\hat{y}}+ z_{4} \, c \, \mathbf{\hat{z}}& \left(8i\right) & \text{S} \\ \mathbf{B_7} & = &- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{1}+ \left(x_{4} - z_{4}\right) \, \mathbf{a}_{2}& = &x_{4} \, a \, \mathbf{\hat{x}}- x_{4} \, a \, \mathbf{\hat{y}}- z_{4} \, c \, \mathbf{\hat{z}}& \left(8i\right) & \text{S} \\ \mathbf{B_8} & = &\left(x_{4} - z_{4}\right) \, \mathbf{a}_{1}- \left(x_{4} + z_{4}\right) \, \mathbf{a}_{2}& = &- x_{4} \, a \, \mathbf{\hat{x}}+ x_{4} \, a \, \mathbf{\hat{y}}- z_{4} \, c \, \mathbf{\hat{z}}& \left(8i\right) & \text{S} \\ \end{array} \]