AFLOW Prototype: A2BCD4_tI16_82_ac_b_d_g
Prototype | : | Cu2(Fe,Zn)SnS4 |
AFLOW prototype label | : | A2BCD4_tI16_82_ac_b_d_g |
Strukturbericht designation | : | None |
Pearson symbol | : | tI16 |
Space group number | : | 82 |
Space group symbol | : | $I\bar{4}$ |
AFLOW prototype command | : | aflow --proto=A2BCD4_tI16_82_ac_b_d_g --params=$a$,$c/a$,$x_{5}$,$y_{5}$,$z_{5}$ |
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{Cu I} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{1} + \frac{1}{2} \, \mathbf{a}_{2} & = & \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2b\right) & \text{Fe} \\ \mathbf{B}_{3} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2c\right) & \text{Cu II} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}a \, \mathbf{\hat{x}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2d\right) & \text{S} \\ \mathbf{B}_{5} & = & \left(y_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & x_{5}a \, \mathbf{\hat{x}} + y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{Sn} \\ \mathbf{B}_{6} & = & \left(-y_{5}+z_{5}\right) \, \mathbf{a}_{1} + \left(-x_{5}+z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -x_{5}a \, \mathbf{\hat{x}}-y_{5}a \, \mathbf{\hat{y}} + z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{Sn} \\ \mathbf{B}_{7} & = & \left(-x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(y_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(-x_{5}+y_{5}\right) \, \mathbf{a}_{3} & = & y_{5}a \, \mathbf{\hat{x}}-x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{Sn} \\ \mathbf{B}_{8} & = & \left(x_{5}-z_{5}\right) \, \mathbf{a}_{1} + \left(-y_{5}-z_{5}\right) \, \mathbf{a}_{2} + \left(x_{5}-y_{5}\right) \, \mathbf{a}_{3} & = & -y_{5}a \, \mathbf{\hat{x}} + x_{5}a \, \mathbf{\hat{y}}-z_{5}c \, \mathbf{\hat{z}} & \left(8g\right) & \text{Sn} \\ \end{array} \]