Ta2H Structure: AB2_oC6_21_a_k

Picture of Structure; Click for Big Picture
Prototype : Ta2H
AFLOW prototype label : AB2_oC6_21_a_k
Strukturbericht designation : None
Pearson symbol : oC6
Space group number : 21
Space group symbol : $C222$
AFLOW prototype command : aflow --proto=AB2_oC6_21_a_k
--params=
$a$,$b/a$,$c/a$,$z_{2}$


Base-centered Orthorhombic primitive vectors:

\[ \begin{array}{ccc} \mathbf{a}_1 & = & \frac12 \, a \, \mathbf{\hat{x}} - \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_2 & = & \frac12 \, a \, \mathbf{\hat{x}} + \frac12 \, b \, \mathbf{\hat{y}} \\ \mathbf{a}_3 & = & c \, \mathbf{\hat{z}} \\ \end{array} \]

Basis vectors:

\[ \begin{array}{ccccccc} & & \mbox{Lattice Coordinates} & & \mbox{Cartesian Coordinates} &\mbox{Wyckoff Position} & \mbox{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \mbox{H} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4k\right) & \mbox{Ta} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4k\right) & \mbox{Ta} \\ \end{array} \]

References

  • H. Asano, Y. Ishikawa, and M. Hirabayashi, Single–crystal X–ray diffraction study on the hydrogen ordering in Ta2H, J. Appl. Crystallogr. 11, 681–683 (1978), doi:10.1107/S0021889878014260.

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=AB2_oC6_21_a_k --params=

Species:

Running:

Output: