Pd4Se Structure: A4B_tP10_114_e_a

Picture of Structure; Click for Big Picture
Prototype : Pd4Se
AFLOW prototype label : A4B_tP10_114_e_a
Strukturbericht designation : None
Pearson symbol : tP10
Space group number : 114
Space group symbol : $P\bar{4}2_{1}c$
AFLOW prototype command : aflow --proto=A4B_tP10_114_e_a
--params=
$a$,$c/a$,$x_{2}$,$y_{2}$,$z_{2}$


Simple Tetragonal primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & a \, \mathbf{\hat{x}} \\ \mathbf{a}_2 & = & a \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{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) & \mbox{Se} \\ \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}a \, \mathbf{\hat{y}} + \frac{1}{2}c \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{Se} \\ \mathbf{B}_{3} & = & x_{2} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & x_{2}a \, \mathbf{\hat{x}} + y_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{4} & = & -x_{2} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & -x_{2}a \, \mathbf{\hat{x}}-y_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{5} & = & y_{2} \, \mathbf{a}_{1}-x_{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & y_{2}a \, \mathbf{\hat{x}}-x_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{6} & = & -y_{2} \, \mathbf{a}_{1} + x_{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & -y_{2}a \, \mathbf{\hat{x}} + x_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{7} & = & \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{2}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{8} & = & \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{2}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{9} & = & \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} - x_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - x_{2}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \mathbf{B}_{10} & = & \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{1} + \left(\frac{1}{2} +x_{2}\right) \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{2}\right)a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +x_{2}\right)a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(8e\right) & \mbox{Pd} \\ \end{array} \]

References

Found in

  • P. Villars and K. Cenzual, Pearson's Crystal Data – Crystal Structure Database for Inorganic Compounds, ASM International (2013).

Geometry files


Prototype Generator

aflow --proto=A4B_tP10_114_e_a --params=

Species:

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