Ta2H Structure: AB2_oC6_21_a_k
| 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:
\[ \begin{array}{ccccccc} & & \text{Lattice Coordinates} & & \text{Cartesian Coordinates} &\text{Wyckoff Position} & \text{Atom Type} \\ \mathbf{B}_{1} & = & 0 \, \mathbf{a}_{1} + 0 \, \mathbf{a}_{2} + 0 \, \mathbf{a}_{3} & = & 0 \, \mathbf{\hat{x}} + 0 \, \mathbf{\hat{y}} + 0 \, \mathbf{\hat{z}} & \left(2a\right) & \text{H} \\ \mathbf{B}_{2} & = & \frac{1}{2} \, \mathbf{a}_{2} + z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}} + \frac{1}{4}b \, \mathbf{\hat{y}} + z_{2}c \, \mathbf{\hat{z}} & \left(4k\right) & \text{Ta} \\ \mathbf{B}_{3} & = & \frac{1}{2} \, \mathbf{a}_{1}-z_{2} \, \mathbf{a}_{3} & = & \frac{1}{4}a \, \mathbf{\hat{x}}- \frac{1}{4}b \, \mathbf{\hat{y}}-z_{2}c \, \mathbf{\hat{z}} & \left(4k\right) & \text{Ta} \\ \end{array} \]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).