CeCo4B4 Structure: A4BC4_tP18_137_g_b_g

Picture of Structure; Click for Big Picture
Prototype : CeCo4B4
AFLOW prototype label : A4BC4_tP18_137_g_b_g
Strukturbericht designation : None
Pearson symbol : tP18
Space group number : 137
Space group symbol : $P4_{2}/nmc$
AFLOW prototype command : aflow --proto=A4BC4_tP18_137_g_b_g
--params=
$a$,$c/a$,$y_{2}$,$z_{2}$,$y_{3}$,$z_{3}$


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} & = & \frac{3}{4} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \frac{1}{4} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \frac{1}{4}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Ce} \\ \mathbf{B}_{2} & = & \frac{1}{4} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \frac{3}{4} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \frac{3}{4}c \, \mathbf{\hat{z}} & \left(2b\right) & \mbox{Ce} \\ \mathbf{B}_{3} & = & \frac{1}{4} \, \mathbf{a}_{1} + y_{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + y_{2}a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{4} & = & \frac{1}{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{2}\right)a \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{5} & = & \left(\frac{1}{2} - y_{2}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{2}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{6} & = & y_{2} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{2}\right) \, \mathbf{a}_{3} & = & y_{2}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{2}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{7} & = & \frac{3}{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{2}\right)a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{8} & = & \frac{3}{4} \, \mathbf{a}_{1}-y_{2} \, \mathbf{a}_{2}-z_{2} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}}-y_{2}a \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{9} & = & \left(\frac{1}{2} +y_{2}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{2}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{10} & = & -y_{2} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{2}\right) \, \mathbf{a}_{3} & = & -y_{2}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{2}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{B} \\ \mathbf{B}_{11} & = & \frac{1}{4} \, \mathbf{a}_{1} + y_{3} \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + y_{3}a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{12} & = & \frac{1}{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{2} + z_{3} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} - y_{3}\right)a \, \mathbf{\hat{y}} + z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{13} & = & \left(\frac{1}{2} - y_{3}\right) \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} - y_{3}\right)a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{14} & = & y_{3} \, \mathbf{a}_{1} + \frac{1}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} +z_{3}\right) \, \mathbf{a}_{3} & = & y_{3}a \, \mathbf{\hat{x}} + \frac{1}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} +z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{15} & = & \frac{3}{4} \, \mathbf{a}_{1} + \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}} + \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{16} & = & \frac{3}{4} \, \mathbf{a}_{1}-y_{3} \, \mathbf{a}_{2}-z_{3} \, \mathbf{a}_{3} & = & \frac{3}{4}a \, \mathbf{\hat{x}}-y_{3}a \, \mathbf{\hat{y}}-z_{3}c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{17} & = & \left(\frac{1}{2} +y_{3}\right) \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & \left(\frac{1}{2} +y_{3}\right)a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \mathbf{B}_{18} & = & -y_{3} \, \mathbf{a}_{1} + \frac{3}{4} \, \mathbf{a}_{2} + \left(\frac{1}{2} - z_{3}\right) \, \mathbf{a}_{3} & = & -y_{3}a \, \mathbf{\hat{x}} + \frac{3}{4}a \, \mathbf{\hat{y}} + \left(\frac{1}{2} - z_{3}\right)c \, \mathbf{\hat{z}} & \left(8g\right) & \mbox{Co} \\ \end{array} \]

References

  • Y. B. Kuzma and N. S. Bilonizhko, Crystal structure of the compounds CeCo4B4 and its analogs, Sov. Phys. Crystallogr. 16, 897–898 (1972).

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=A4BC4_tP18_137_g_b_g --params=

Species:

Running:

Output: