
AFLOW Prototype: ABC3_mC10_5_b_a_ac
Prototype | : | (Ba,Ca)CO3 |
AFLOW prototype label | : | ABC3_mC10_5_b_a_ac |
Strukturbericht designation | : | None |
Pearson symbol | : | mC10 |
Space group number | : | 5 |
Space group symbol | : | $C2$ |
AFLOW prototype command | : | aflow --proto=ABC3_mC10_5_b_a_ac --params=$a$,$b/a$,$c/a$,$\beta$,$y_{1}$,$y_{2}$,$y_{3}$,$x_{4}$,$y_{4}$,$z_{4}$ |
Basis vectors:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & -y_{1} \, \mathbf{a}_{1} + y_{1} \, \mathbf{a}_{2} & = & y_{1}b \, \mathbf{\hat{y}} & \left(2a\right) & \text{C} \\ \mathbf{B}_{2} & = & -y_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} & = & y_{2}b \, \mathbf{\hat{y}} & \left(2a\right) & \text{O I} \\ \mathbf{B}_{3} & = & -y_{3} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + \frac{1}{2} \, \mathbf{a}_{3} & = & \frac{1}{2}c\cos\beta \, \mathbf{\hat{x}} + y_{3}b \, \mathbf{\hat{y}} + \frac{1}{2}c\sin\beta \, \mathbf{\hat{z}} & \left(2b\right) & \text{Ba} \\ \mathbf{B}_{4} & = & \left(x_{4}-y_{4}\right) \, \mathbf{a}_{1} + \left(x_{4}+y_{4}\right) \, \mathbf{a}_{2} + z_{4} \, \mathbf{a}_{3} & = & \left(x_{4}a+z_{4}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}} + z_{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4c\right) & \text{O II} \\ \mathbf{B}_{5} & = & \left(-x_{4}-y_{4}\right) \, \mathbf{a}_{1} + \left(-x_{4}+y_{4}\right) \, \mathbf{a}_{2}-z_{4} \, \mathbf{a}_{3} & = & \left(-x_{4}a-z_{4}c\cos\beta\right) \, \mathbf{\hat{x}} + y_{4}b \, \mathbf{\hat{y}}-z_{4}c\sin\beta \, \mathbf{\hat{z}} & \left(4c\right) & \text{O II} \\ \end{array} \]